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

Systemtic Name: prop-2-enyl (4S)-6-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-6-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]thio]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C24H22ClN3O3S2 MolecularWeight: 500.03278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O3S2/c1-4-9-31-24(30)21-15(3)27-23(17(12-26)22(21)19-6-5-10-32-19)33-13-20(29)28-18-11-16(25)8-7-14(18)2/h4-8,10-11,22,27H,1,9,13H2,2-3H3,(H,28,29)/t22-/m0/s1