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

Systemtic Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-2-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-2-phenyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-(3-cyanopropylthio)-2-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-2-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-(3-cyanopropylthio)-2-phenyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S2/c1-2-28-23(27)20-19(18-11-8-14-29-18)17(15-25)22(30-13-7-6-12-24)26-21(20)16-9-4-3-5-10-16/h3-5,8-11,14,19,26H,2,6-7,13H2,1H3