[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=CS2)C

InChI

InChI=1S/C17H17N3O6S/c1-10-5-6-12(20(24)25)16(11(10)2)19-14(21)9-26-15(22)8-18-17(23)13-4-3-7-27-13/h3-7H,8-9H2,1-2H3,(H,18,23)(H,19,21)