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

Systemtic Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(3-methyl-2-thienyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-(3-cyanopropylthio)-4-(3-methyl-2-thiophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-(3-cyanopropylthio)-4-(3-methyl-2-thienyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=C(C=CS2)C)C#N)SCCCC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=C(C=CS2)C)C#N)SCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O2S2/c1-3-29-24(28)20-19(22-16(2)11-14-30-22)18(15-26)23(31-13-8-7-12-25)27-21(20)17-9-5-4-6-10-17/h4-6,9-11,14,19,27H,3,7-8,13H2,1-2H3