methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-15-20(22(28)26-17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)18(13-24)23(25-15)30-14-19(27)29-2/h3-12,21,25H,14H2,1-2H3,(H,26,28)