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

Systemtic Name: ethyl (4S)-5-cyano-6-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-6-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-[[2-(diethylamino)-2-oxoethyl]thio]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-(diethylamino)-2-keto-ethyl]thio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC=CS2)C#N

Isomeric SMILES

CCN(CC)C(=O)CSC1=C([C@H](C(=C(N1)C)C(=O)OCC)C2=CC=CS2)C#N

InChI

InChI=1S/C20H25N3O3S2/c1-5-23(6-2)16(24)12-28-19-14(11-21)18(15-9-8-10-27-15)17(13(4)22-19)20(25)26-7-3/h8-10,18,22H,5-7,12H2,1-4H3/t18-/m0/s1