3-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[[4-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[4-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]amino]-2-thenoic acid Formula: C20H19N3O8S2 MolecularWeight: 493.51016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O8S2/c24-16(32)8-12-7-15(18(25)21-14-5-6-33-17(14)19(26)27)22(9-12)20(28)31-10-11-1-3-13(4-2-11)23(29)30/h1-6,12,15H,7-10H2,(H,21,25)(H,24,32)(H,26,27)