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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(3-cyanoanilino)-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-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-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-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C25H20N4O4S MolecularWeight: 472.5157

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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)C#N)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H20N4O4S/c26-13-16-5-3-6-18(11-16)28-23(30)15-33-25(32)21(29-24(31)22-9-4-10-34-22)12-17-14-27-20-8-2-1-7-19(17)20/h1-11,14,21,27H,12,15H2,(H,28,30)(H,29,31)