prop-2-enyl (4S)-5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-2-methyl-4-(4-pyridyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=NC=C2)C(=O)OCC=C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)S)C#N)C2=CC=NC=C2)C(=O)OCC=C

InChI

InChI=1S/C16H15N3O2S/c1-3-8-21-16(20)13-10(2)19-15(22)12(9-17)14(13)11-4-6-18-7-5-11/h3-7,14,19,22H,1,8H2,2H3/t14-/m1/s1