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

Systemtic Name: prop-2-enyl (4S)-3-cyano-6-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4S)-3-cyano-6-methyl-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-cyano-6-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]thio]-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-3-cyano-6-methyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-3-cyano-2-[[2-keto-2-(m-toluidino)ethyl]thio]-6-methyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxylic acid allyl ester Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S2/c1-4-10-30-24(29)21-16(3)26-23(18(13-25)22(21)19-9-6-11-31-19)32-14-20(28)27-17-8-5-7-15(2)12-17/h4-9,11-12,18,22H,1,10,14H2,2-3H3,(H,27,28)/t18?,22-/m1/s1