7-[[2-azanyl-2-(3-formamidophenyl)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-(3-formamidophenyl)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-(3-formamidophenyl)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-(3-formamidophenyl)-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-(3-formamidophenyl)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-(3-formamidophenyl)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: C21H21N7O7S2 MolecularWeight: 547.56414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O7S2/c22-14(9-2-1-3-11(4-9)23-8-29)17(32)25-15-18(33)28-16(20(34)35)10(6-36-19(15)28)7-37-21-24-12(26-27-21)5-13(30)31/h1-4,8,14-15,19H,5-7,22H2,(H,23,29)(H,25,32)(H,30,31)(H,34,35)(H,24,26,27)