prop-2-enyl 5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 4-(4-benzyloxyphenyl)-5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC=C

InChI

InChI=1S/C27H26N2O5S/c1-4-14-33-27(31)24-18(2)29-26(35-17-23(30)32-3)22(15-28)25(24)20-10-12-21(13-11-20)34-16-19-8-6-5-7-9-19/h4-13,25,29H,1,14,16-17H2,2-3H3