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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N)SCC(=O)OC

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N)SCC(=O)OC

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/h3-12,20-21H,14H2,1-2H3,(H,26,28)/t20?,21-/m1/s1