7-[[2-azanyl-2-[4-(hydroxymethyl)phenyl]ethanoyl]amino]-3-[[5-(carboxymethyl)-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-(hydroxymethyl)phenyl]ethanoyl]amino]-3-[[5-(carboxymethyl)-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-(hydroxymethyl)phenyl]acetyl]amino]-3-[[5-(carboxymethyl)-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-(hydroxymethyl)phenyl]-1-oxoethyl]amino]-3-[[[5-(carboxymethyl)-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-(hydroxymethyl)phenyl]acetyl]amino]-3-[[5-(carboxymethyl)-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-methylolphenyl)acetyl]amino]-3-[[[5-(carboxymethyl)-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: C21H22N6O7S2 MolecularWeight: 534.56538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)CO)N)C(=O)O)CSC4=NNC(=N4)CC(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)CO)N)C(=O)O)CSC4=NNC(=N4)CC(=O)O

InChI

InChI=1S/C21H22N6O7S2/c22-14(10-3-1-9(6-28)2-4-10)17(31)24-15-18(32)27-16(20(33)34)11(7-35-19(15)27)8-36-21-23-12(25-26-21)5-13(29)30/h1-4,14-15,19,28H,5-8,22H2,(H,24,31)(H,29,30)(H,33,34)(H,23,25,26)