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

Systemtic Name: methyl (4S)-5-cyano-6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-cyano-6-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-[[2-(cyclopropylamino)-2-oxoethyl]thio]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2CC2)C#N)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)NC2CC2)C#N)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C18H19N3O3S2/c1-10-15(18(23)24-2)16(13-4-3-7-25-13)12(8-19)17(20-10)26-9-14(22)21-11-5-6-11/h3-4,7,11,16,20H,5-6,9H2,1-2H3,(H,21,22)/t16-/m0/s1