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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C

InChI

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