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

Systemtic Name: ethyl 5-cyano-4-(2,3-dimethoxyphenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(2,3-dimethoxyphenyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(2,3-dimethoxyphenyl)-6-[(2-methoxy-2-oxoethyl)thio]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(2,3-dimethoxyphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(2,3-dimethoxyphenyl)-6-[(2-keto-2-methoxy-ethyl)thio]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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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)SCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6S/c1-5-34-26(30)22-21(17-12-9-13-19(31-2)24(17)33-4)18(14-27)25(35-15-20(29)32-3)28-23(22)16-10-7-6-8-11-16/h6-13,21,28H,5,15H2,1-4H3