6-(1-hydroxyethyl)-4-methyl-3-[1-[2-(4-nitrophenyl)ethanoyl]-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-[1-[2-(4-nitrophenyl)ethanoyl]-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-3-[1-[2-(4-nitrophenyl)acetyl]-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[[1-[2-(4-nitrophenyl)-1-oxoethyl]-5-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-[1-[2-(4-nitrophenyl)acetyl]-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[[1-[2-(4-nitrophenyl)acetyl]-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C24H26N6O7S MolecularWeight: 542.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C5=NC=NN5)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C5=NC=NN5)C(=O)O)C(C)O

InChI

InChI=1S/C24H26N6O7S/c1-11-19-18(12(2)31)23(33)29(19)20(24(34)35)21(11)38-15-8-16(22-25-10-26-27-22)28(9-15)17(32)7-13-3-5-14(6-4-13)30(36)37/h3-6,10-12,15-16,18-19,31H,7-9H2,1-2H3,(H,34,35)(H,25,26,27)