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

Systemtic Name: prop-2-enyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 4-(4-benzyloxy-3-methoxy-phenyl)-6-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-6-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C33H30BrN3O5S MolecularWeight: 660.5774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC=C

InChI

InChI=1S/C33H30BrN3O5S/c1-4-16-41-33(39)30-21(2)36-32(43-20-29(38)37-25-13-11-24(34)12-14-25)26(18-35)31(30)23-10-15-27(28(17-23)40-3)42-19-22-8-6-5-7-9-22/h4-15,17,31,36H,1,16,19-20H2,2-3H3,(H,37,38)