ethyl 6-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-furyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-butylanilino)-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-butylanilino)-2-keto-ethyl]thio]-5-cyano-4-(2-furyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CO4)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CO4)C#N

InChI

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