7-[[2-azanyl-2-[4-(carboxymethylamino)phenyl]ethanoyl]amino]-3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-azanyl-2-[4-(carboxymethylamino)phenyl]ethanoyl]amino]-3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-amino-2-[4-(carboxymethylamino)phenyl]acetyl]amino]-3-[[5-(2-ethoxy-2-oxo-ethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-amino-2-[4-(carboxymethylamino)phenyl]-1-oxoethyl]amino]-3-[[[5-(2-ethoxy-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-amino-2-[4-(carboxymethylamino)phenyl]acetyl]amino]-3-[[5-(2-ethoxy-2-oxoethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-amino-2-[4-(carboxymethylamino)phenyl]acetyl]amino]-3-[[[5-(2-ethoxy-2-keto-ethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H27N7O8S2 MolecularWeight: 605.64328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=NN1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=C(C=C4)NCC(=O)O)N)SC2)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=NC(=NN1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=C(C=C4)NCC(=O)O)N)SC2)C(=O)O

InChI

InChI=1S/C24H27N7O8S2/c1-2-39-16(34)7-14-27-24(30-29-14)41-10-12-9-40-22-18(21(36)31(22)19(12)23(37)38)28-20(35)17(25)11-3-5-13(6-4-11)26-8-15(32)33/h3-6,17-18,22,26H,2,7-10,25H2,1H3,(H,28,35)(H,32,33)(H,37,38)(H,27,29,30)