ethyl 5-cyano-4-cyclohexyl-6-methyl-2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-cyclohexyl-6-methyl-2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(benzenesulfinylmethyl)-5-cyano-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(benzenesulfinylmethyl)-5-cyano-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinylmethyl)-5-cyano-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(benzenesulfinylmethyl)-5-cyano-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C#N)C)CS(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C#N)C)CS(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-3-28-23(26)22-20(15-29(27)18-12-8-5-9-13-18)25-16(2)19(14-24)21(22)17-10-6-4-7-11-17/h5,8-9,12-13,17,21,25H,3-4,6-7,10-11,15H2,1-2H3