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

Systemtic Name: prop-2-enyl (4S)-2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4S)-2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-cyano-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-3-cyano-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-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)NC(=O)CSC2=NC(=C(C(C2C#N)C3=CC=CS3)C(=O)OCC=C)C)Cl

Isomeric SMILES

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

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)28-16-8-7-14(2)18(25)11-16/h4-8,10-11,17,22H,1,9,13H2,2-3H3,(H,28,29)/t17?,22-/m1/s1