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

Systemtic Name: 2-[5-[(3-carboxyquinolin-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(3-carboxy-2-quinolyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[(3-carboxy-2-quinolinyl)amino]-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(3-carboxyquinolin-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(3-carboxy-2-quinolyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C25H21N4O8S- MolecularWeight: 537.52124

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=NC3=CC=CC=C3C=C2C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

C1C(CN(C1C(=O)NC2=NC3=CC=CC=C3C=C2C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C25H22N4O8S/c30-21(38)10-15-9-20(28(12-15)25(34)37-13-14-5-7-17(8-6-14)29(35)36)23(31)27-22-18(24(32)33)11-16-3-1-2-4-19(16)26-22/h1-8,11,15,20H,9-10,12-13H2,(H,30,38)(H,32,33)(H,26,27,31)/p-1