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

Systemtic Name: methyl 2-[[(4S)-5-cyano-2-methyl-3-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(4S)-5-cyano-2-methyl-3-(o-tolylcarbamoyl)-4-(2-thienyl)-3,4-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-cyano-2-methyl-3-[(2-methylanilino)-oxomethyl]-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(4S)-5-cyano-2-methyl-3-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-5-cyano-2-methyl-3-(o-tolylcarbamoyl)-4-(2-thienyl)-3,4-dihydropyridin-6-yl]thio]acetic acid methyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2C(C(=C(N=C2C)SCC(=O)OC)C#N)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2[C@@H](C(=C(N=C2C)SCC(=O)OC)C#N)C3=CC=CS3

InChI

InChI=1S/C22H21N3O3S2/c1-13-7-4-5-8-16(13)25-21(27)19-14(2)24-22(30-12-18(26)28-3)15(11-23)20(19)17-9-6-10-29-17/h4-10,19-20H,12H2,1-3H3,(H,25,27)/t19?,20-/m0/s1