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

Systemtic Name: ethyl 2-[[(4S)-3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(4S)-3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-phenyl-3,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(4S)-3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C24H23N3O3S/c1-3-30-20(28)15-31-24-19(14-25)22(17-10-6-4-7-11-17)21(16(2)26-24)23(29)27-18-12-8-5-9-13-18/h4-13,19,22H,3,15H2,1-2H3,(H,27,29)/t19?,22-/m1/s1