2-[5-(5-carboxythiophen-2-yl)carbonyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[5-(5-carboxythiophen-2-yl)carbonyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-(5-carboxythiophene-2-carbonyl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[(5-carboxy-2-thiophenyl)-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-(5-carboxythiophene-2-carbonyl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-(5-carboxythiophene-2-carbonyl)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C20H17N2O8S2- MolecularWeight: 477.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)C2=CC=C(S2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

C1C(CN(C1C(=O)C2=CC=C(S2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C20H18N2O8S2/c23-17(31)8-12-7-14(18(24)15-5-6-16(32-15)19(25)26)21(9-12)20(27)30-10-11-1-3-13(4-2-11)22(28)29/h1-6,12,14H,7-10H2,(H,23,31)(H,25,26)/p-1