[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C(=CC3=CC=C(C=C3)C)C#N

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)/C(=C/C3=CC=C(C=C3)C)/C#N

InChI

InChI=1S/C22H20N2O3/c1-15-7-9-17(10-8-15)12-19(13-23)22(26)27-14-21(25)24-16(2)11-18-5-3-4-6-20(18)24/h3-10,12,16H,11,14H2,1-2H3/b19-12+/t16-/m0/s1