prop-2-enyl 5-cyano-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-methyl-6-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-methyl-6-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 4-(4-benzyloxy-3-methoxy-phenyl)-5-cyano-2-methyl-6-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-6-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-6-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-5-cyano-6-[[2-keto-2-(m-toluidino)ethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C34H33N3O5S MolecularWeight: 595.70792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N

InChI

InChI=1S/C34H33N3O5S/c1-5-16-41-34(39)31-23(3)36-33(43-21-30(38)37-26-13-9-10-22(2)17-26)27(19-35)32(31)25-14-15-28(29(18-25)40-4)42-20-24-11-7-6-8-12-24/h5-15,17-18,32,36H,1,16,20-21H2,2-4H3,(H,37,38)