2-[5-[(3-acetamido-5-carboxy-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[5-[(3-acetamido-5-carboxy-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(3-acetamido-5-carboxy-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[(3-acetamido-5-carboxyanilino)-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(3-acetamido-5-carboxyphenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(3-acetamido-5-carboxy-phenyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C24H23N4O9S- MolecularWeight: 543.52582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-])C(=O)O

InChI

InChI=1S/C24H24N4O9S/c1-13(29)25-17-8-16(23(32)33)9-18(10-17)26-22(31)20-6-15(7-21(30)38)11-27(20)24(34)37-12-14-2-4-19(5-3-14)28(35)36/h2-5,8-10,15,20H,6-7,11-12H2,1H3,(H,25,29)(H,26,31)(H,30,38)(H,32,33)/p-1