(2-methylphenyl) 2-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: (2-methylphenyl) 2-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]ethanoate Openeye Name: o-tolyl 2-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]acetic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 2-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]acetic acid o-tolyl ester Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)CSC2=NC3=C(CN(CC3)C)C(=C2C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1OC(=O)CSC2=NC3=C(CN(CC3)C)C(=C2C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-17-8-6-7-11-22(17)30-23(29)16-31-25-19(14-26)24(18-9-4-3-5-10-18)20-15-28(2)13-12-21(20)27-25/h3-11H,12-13,15-16H2,1-2H3