5-cyano-6-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-6-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C29H25FN4O4S MolecularWeight: 544.596603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H25FN4O4S/c1-17-26(28(37)34-20-6-4-3-5-7-20)27(18-8-13-23(35)24(14-18)38-2)22(15-31)29(32-17)39-16-25(36)33-21-11-9-19(30)10-12-21/h3-14,27,32,35H,16H2,1-2H3,(H,33,36)(H,34,37)