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

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-6-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-[[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]thio]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]thio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC3=NC(=CS3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CS2)C#N)SCC(=O)NC3=NC(=CS3)C)C

InChI

InChI=1S/C20H20N4O3S3/c1-4-27-19(26)16-12(3)23-18(13(8-21)17(16)14-6-5-7-28-14)29-10-15(25)24-20-22-11(2)9-30-20/h5-7,9,17,23H,4,10H2,1-3H3,(H,22,24,25)/t17-/m0/s1