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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(3-methylsulfanylanilino)-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-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-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-(methylthio)anilino]ethyl] ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H23N3O4S2/c1-33-18-7-4-6-17(13-18)27-23(29)15-32-25(31)21(28-24(30)22-10-5-11-34-22)12-16-14-26-20-9-3-2-8-19(16)20/h2-11,13-14,21,26H,12,15H2,1H3,(H,27,29)(H,28,30)