sodium 7-[2-[2-[[methyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]phenyl]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[2-[2-[[methyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]phenyl]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[2-[2-[[methyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]phenyl]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[2-[2-[[[methyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[2-[2-[[methyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]phenyl]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 8-keto-7-[[2-[2-[[methyl-[(E)-3-phenylacryloyl]carbamoyl]amino]phenyl]acetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C30H27N6NaO6S3 MolecularWeight: 686.75675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4NC(=O)N(C)C(=O)C=CC5=CC=CC=C5)SC2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4NC(=O)N(C)C(=O)/C=C/C5=CC=CC=C5)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C30H28N6O6S3.Na/c1-17-33-34-30(45-17)44-16-20-15-43-27-24(26(39)36(27)25(20)28(40)41)32-22(37)14-19-10-6-7-11-21(19)31-29(42)35(2)23(38)13-12-18-8-4-3-5-9-18;/h3-13,24,27H,14-16H2,1-2H3,(H,31,42)(H,32,37)(H,40,41);/q;+1/p-1/b13-12+;