tert-butyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=CS2)C#N)S

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC(C)(C)C)C2=CC=CS2)C#N)S

InChI

InChI=1S/C16H18N2O2S2/c1-9-12(15(19)20-16(2,3)4)13(11-6-5-7-22-11)10(8-17)14(21)18-9/h5-7,12-13,21H,1-4H3/t12?,13-/m0/s1