methyl 2-[[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-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)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)OC)C

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/h4-10,20,24H,12H2,1-3H3,(H,25,27)