2-methoxyethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-methoxyethyl 4-(4-benzyloxyphenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid 2-methoxyethyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCCOC

InChI

InChI=1S/C25H26N2O4S/c1-17-22(25(28)30-14-13-29-2)23(21(15-26)24(27-17)32-3)19-9-11-20(12-10-19)31-16-18-7-5-4-6-8-18/h4-12,23,27H,13-14,16H2,1-3H3