[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C24H27NO4S/c1-16-5-3-8-20(13-16)23(27)25-21(11-12-30-2)24(28)29-15-22(26)19-10-9-17-6-4-7-18(17)14-19/h3,5,8-10,13-14,21H,4,6-7,11-12,15H2,1-2H3,(H,25,27)/t21-/m1/s1