ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C30H33N3O3S MolecularWeight: 515.66632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C30H33N3O3S/c1-3-36-30(35)27-21(2)32-29(25(19-31)28(27)24-12-8-5-9-13-24)37-20-26(34)33-16-14-23(15-17-33)18-22-10-6-4-7-11-22/h4-13,23,28,32H,3,14-18,20H2,1-2H3