ethyl 5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-mercapto-2-methyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)S)C

InChI

InChI=1S/C19H22N2O5S/c1-6-26-19(22)15-10(2)21-18(27)12(9-20)16(15)11-7-13(23-3)17(25-5)14(8-11)24-4/h7-8,16,21,27H,6H2,1-5H3