ethyl 4-[[5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-cyano-4-(2-furyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[5-cyano-4-(2-furanyl)-2-methyl-6-(phenacylthio)-1,4-dihydropyridin-3-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-cyano-4-(furan-2-yl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[5-cyano-4-(2-furyl)-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C29H25N3O5S MolecularWeight: 527.5909

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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=CO3)C#N)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C29H25N3O5S/c1-3-36-29(35)20-11-13-21(14-12-20)32-27(34)25-18(2)31-28(22(16-30)26(25)24-10-7-15-37-24)38-17-23(33)19-8-5-4-6-9-19/h4-15,26,31H,3,17H2,1-2H3,(H,32,34)