6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-(4-butylphenyl)-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CO4)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CO4)C#N

InChI

InChI=1S/C31H31N3O4S/c1-4-5-9-21-13-15-22(16-14-21)25(35)19-39-31-23(18-32)29(27-12-8-17-38-27)28(20(2)33-31)30(36)34-24-10-6-7-11-26(24)37-3/h6-8,10-17,29,33H,4-5,9,19H2,1-3H3,(H,34,36)