prop-2-enyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-3-9-25-19(24)16-12(2)22-18(26-11-15(21)23)14(10-20)17(16)13-7-5-4-6-8-13/h3-8,16-17H,1,9,11H2,2H3,(H2,21,23)/t16?,17-/m0/s1