methyl 5-cyano-2-methyl-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 6-benzylsulfanyl-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(phenylmethylthio)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-benzylsulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C20H18N2O2S2/c1-13-17(20(23)24-2)18(16-9-6-10-25-16)15(11-21)19(22-13)26-12-14-7-4-3-5-8-14/h3-10,18,22H,12H2,1-2H3