prop-2-enyl (4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CN=CC=C2)C#N)S

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-3-7-21-16(20)13-10(2)19-15(22)12(8-17)14(13)11-5-4-6-18-9-11/h3-6,9,13-14,22H,1,7H2,2H3/t13?,14-/m0/s1