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

Systemtic Name: 2-[5-[(2-carboxy-4-methoxy-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(2-carboxy-4-methoxy-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[(2-carboxy-4-methoxyanilino)-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(2-carboxy-4-methoxyphenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(2-carboxy-4-methoxy-phenyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C23H22N3O9S- MolecularWeight: 516.50048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-])C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-])C(=O)O

InChI

InChI=1S/C23H23N3O9S/c1-34-16-6-7-18(17(10-16)22(29)30)24-21(28)19-8-14(9-20(27)36)11-25(19)23(31)35-12-13-2-4-15(5-3-13)26(32)33/h2-7,10,14,19H,8-9,11-12H2,1H3,(H,24,28)(H,27,36)(H,29,30)/p-1