[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C15H13N3O6S2 MolecularWeight: 395.41022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C15H13N3O6S2/c16-14(21)11-5-6-25-15(11)17-12(19)7-24-13(20)8-26-10-3-1-9(2-4-10)18(22)23/h1-6H,7-8H2,(H2,16,21)(H,17,19)