prop-2-enyl (4R)-3-cyano-2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: prop-2-enyl (4R)-3-cyano-2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4R)-3-cyano-2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (4R)-3-cyano-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-3-cyano-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4R)-3-cyano-2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylic acid allyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=C(C(C2C#N)C3=CC=CS3)C(=O)OCC=C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=C([C@@H](C2C#N)C3=CC=CS3)C(=O)OCC=C)C

InChI

InChI=1S/C25H25N3O3S2/c1-5-11-31-25(30)21-17(4)27-24(18(13-26)22(21)19-10-7-12-32-19)33-14-20(29)28-23-15(2)8-6-9-16(23)3/h5-10,12,18,22H,1,11,14H2,2-4H3,(H,28,29)/t18?,22-/m0/s1