ethyl (4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C#N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CC=C2[N+](=O)[O-])C#N)S)C

InChI

InChI=1S/C16H15N3O4S/c1-3-23-16(20)13-9(2)18-15(24)11(8-17)14(13)10-6-4-5-7-12(10)19(21)22/h4-7,14,18,24H,3H2,1-2H3/t14-/m1/s1