ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-(3-cyanopropylthio)-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-(3-cyanopropylthio)-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)OC)OC)C#N)SCCCC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)OC)OC)C#N)SCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C27H27N3O4S/c1-4-34-27(31)24-23(20-16-19(32-2)12-13-22(20)33-3)21(17-29)26(35-15-9-8-14-28)30-25(24)18-10-6-5-7-11-18/h5-7,10-13,16,23,30H,4,8-9,15H2,1-3H3