[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(CCSC)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(CCSC)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H28N2O4S/c1-4-17-8-6-10-19-20(14-26-23(17)19)22(28)15-31-25(30)21(11-12-32-3)27-24(29)18-9-5-7-16(2)13-18/h5-10,13-14,21,26H,4,11-12,15H2,1-3H3,(H,27,29)