tert-butyl 5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl 5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 5-cyano-2-methyl-6-sulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-mercapto-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=CS2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC=CS2)C(=O)OC(C)(C)C

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/h5-7,13,18,21H,1-4H3