ethyl 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-3,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-3,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(4R)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-3,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-thiophen-2-yl-3,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(4R)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-3,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-3,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3C)C

InChI

InChI=1S/C23H23N3O3S2/c1-4-29-19(27)13-31-23-16(12-24)21(18-10-7-11-30-18)20(15(3)25-23)22(28)26-17-9-6-5-8-14(17)2/h5-11,16,21H,4,13H2,1-3H3,(H,26,28)/t16?,21-/m0/s1