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

Systemtic Name: 2-[5-[(3-carboxyquinolin-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbamoyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(3-carboxy-2-quinolyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbamoyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[(3-carboxy-2-quinolinyl)amino]-oxomethyl]-1-[[(4-nitrophenyl)methoxyamino]-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(3-carboxyquinolin-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbamoyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(3-carboxy-2-quinolyl)carbamoyl]-1-[(4-nitrobenzyl)oxycarbamoyl]pyrrolidin-3-yl]thioacetate Formula: C25H22N5O8S- MolecularWeight: 552.53588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=NC3=CC=CC=C3C=C2C(=O)O)C(=O)NOCC4=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)NOCC4=CC=C(C=C4)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C25H23N5O8S/c31-21(39)10-15-9-20(23(32)27-22-18(24(33)34)11-16-3-1-2-4-19(16)26-22)29(12-15)25(35)28-38-13-14-5-7-17(8-6-14)30(36)37/h1-8,11,15,20H,9-10,12-13H2,(H,28,35)(H,31,39)(H,33,34)(H,26,27,32)/p-1