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

Systemtic Name: S-[[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]methyl] 4-methylbenzenecarbothioate Openeye Name: S-[[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]methyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[[3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]methyl] ester IUPAC Name: S-[[3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]methyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]methyl] ester Formula: C28H25N3O2S2 MolecularWeight: 499.647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3C)C4=CC=CS4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SCC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3C)C4=CC=CS4)C#N

InChI

InChI=1S/C28H25N3O2S2/c1-17-10-12-20(13-11-17)28(33)35-16-23-21(15-29)26(24-9-6-14-34-24)25(19(3)30-23)27(32)31-22-8-5-4-7-18(22)2/h4-14,26,30H,16H2,1-3H3,(H,31,32)