[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S/c1-11-2-3-13(14(8-11)20(24)25)19-15(21)9-26-16(22)4-6-18-17(23)12-5-7-27-10-12/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,18,23)(H,19,21)