5-[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylthiophene-2-carboxylic acid

Systemtic Name: 5-[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylthiophene-2-carboxylic acid Openeye Name: 5-[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]thiophene-2-carboxylic acid CAS Name: 5-[[4-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]thiophene-2-carboxylic acid Traditional Name: 5-[4-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]-2-thenoic acid Formula: C20H18N2O8S2 MolecularWeight: 478.49552

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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(=O)S

Isomeric SMILES

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

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)