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

Systemtic Name: 2-[5-[(5-carboxy-1H-pyrrol-3-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(5-carboxy-1H-pyrrol-3-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[(5-carboxy-1H-pyrrol-3-yl)amino]-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(5-carboxy-1H-pyrrol-3-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(5-carboxy-1H-pyrrol-3-yl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C20H19N4O8S- MolecularWeight: 475.45186

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CNC(=C2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CNC(=C2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C20H20N4O8S/c25-17(33)6-12-5-16(18(26)22-13-7-15(19(27)28)21-8-13)23(9-12)20(29)32-10-11-1-3-14(4-2-11)24(30)31/h1-4,7-8,12,16,21H,5-6,9-10H2,(H,22,26)(H,25,33)(H,27,28)/p-1