ethyl 4-[[5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-cyano-6-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[5-cyano-6-[[2-(cyclohexylamino)-2-oxoethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[5-cyano-6-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)NC4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)NC4CCCCC4)C

InChI

InChI=1S/C31H34N4O4S/c1-3-39-31(38)22-14-16-24(17-15-22)35-29(37)27-20(2)33-30(25(18-32)28(27)21-10-6-4-7-11-21)40-19-26(36)34-23-12-8-5-9-13-23/h4,6-7,10-11,14-17,23,28,33H,3,5,8-9,12-13,19H2,1-2H3,(H,34,36)(H,35,37)