(2R)-2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

Systemtic Name: (2R)-2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Openeye Name: (2R)-2-(1-methylene-3-oxo-isoindolin-2-yl)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: (2R)-2-(1-methylene-3-oxo-2-isoindolyl)-N-[2-[(4-methylphenyl)thio]ethyl]propanamide IUPAC Name: (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Traditional Name: (2R)-2-(1-keto-3-methylene-isoindolin-2-yl)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C(C)N2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)[C@@H](C)N2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O2S/c1-14-8-10-17(11-9-14)26-13-12-22-20(24)16(3)23-15(2)18-6-4-5-7-19(18)21(23)25/h4-11,16H,2,12-13H2,1,3H3,(H,22,24)/t16-/m1/s1