[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C24H20N4O6S MolecularWeight: 492.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H20N4O6S/c29-22(26-16-5-3-6-17(12-16)28(32)33)14-34-24(31)20(27-23(30)21-9-4-10-35-21)11-15-13-25-19-8-2-1-7-18(15)19/h1-10,12-13,20,25H,11,14H2,(H,26,29)(H,27,30)