prop-2-enyl (4S)-5-cyano-6-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-6-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-6-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CS3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C([C@H](C(=C(N2)C)C(=O)OCC=C)C3=CC=CS3)C#N

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/h5-10,12,22,27H,1,11,14H2,2-4H3,(H,28,29)/t22-/m0/s1