disodium 7-[[2-(4-hydroxyphenyl)-2-[[6-(4-methylphenyl)-2-oxidanidyl-pyridin-3-yl]carbonylamino]ethanoyl]amino]-3-[[5-(methylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: disodium 7-[[2-(4-hydroxyphenyl)-2-[[6-(4-methylphenyl)-2-oxidanidyl-pyridin-3-yl]carbonylamino]ethanoyl]amino]-3-[[5-(methylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: disodium 7-[[2-(4-hydroxyphenyl)-2-[[2-oxido-6-(p-tolyl)pyridine-3-carbonyl]amino]acetyl]amino]-3-[[5-(methylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: disodium 7-[[2-(4-hydroxyphenyl)-2-[[[6-(4-methylphenyl)-2-oxido-3-pyridinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-[[[5-(methylcarbamoyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: disodium 7-[[2-(4-hydroxyphenyl)-2-[[6-(4-methylphenyl)-2-oxidopyridine-3-carbonyl]amino]acetyl]amino]-3-[[5-(methylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: disodium 7-[[2-(4-hydroxyphenyl)-2-[[2-oxido-6-(p-tolyl)nicotinoyl]amino]acetyl]amino]-8-keto-3-[[[5-(methylcarbamoyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C33H27N7Na2O8S3 MolecularWeight: 791.78412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)NC(C3=CC=C(C=C3)O)C(=O)NC4C5N(C4=O)C(=C(CS5)CSC6=NN=C(S6)C(=O)NC)C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)NC(C3=CC=C(C=C3)O)C(=O)NC4C5N(C4=O)C(=C(CS5)CSC6=NN=C(S6)C(=O)NC)C(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C33H29N7O8S3.2Na/c1-15-3-5-16(6-4-15)21-12-11-20(25(42)35-21)26(43)36-22(17-7-9-19(41)10-8-17)27(44)37-23-30(46)40-24(32(47)48)18(13-49-31(23)40)14-50-33-39-38-29(51-33)28(45)34-2;;/h3-12,22-23,31,41H,13-14H2,1-2H3,(H,34,45)(H,35,42)(H,36,43)(H,37,44)(H,47,48);;/q;2*+1/p-2