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

Systemtic Name: 3-[(5-aminocarbonyl-2H-1,2,3-triazol-4-yl)sulfanylmethyl]-7-[[2-azanyl-2-(3,4-dichlorophenyl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-amino-2-(3,4-dichlorophenyl)acetyl]amino]-3-[(5-carbamoyl-2H-triazol-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-amino-2-(3,4-dichlorophenyl)-1-oxoethyl]amino]-3-[[(5-carbamoyl-2H-triazol-4-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-amino-2-(3,4-dichlorophenyl)acetyl]amino]-3-[(5-carbamoyl-2H-triazol-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-amino-2-(3,4-dichlorophenyl)acetyl]amino]-3-[[(5-carbamoyl-2H-triazol-4-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H17Cl2N7O5S2 MolecularWeight: 558.41818

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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)Cl)Cl)N)C(=O)O)CSC4=NNN=C4C(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC(=C(C=C3)Cl)Cl)N)C(=O)O)CSC4=NNN=C4C(=O)N

InChI

InChI=1S/C19H17Cl2N7O5S2/c20-8-2-1-6(3-9(8)21)10(22)15(30)24-12-17(31)28-13(19(32)33)7(5-35-18(12)28)4-34-16-11(14(23)29)25-27-26-16/h1-3,10,12,18H,4-5,22H2,(H2,23,29)(H,24,30)(H,32,33)(H,25,26,27)