ethyl 3-cyano-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: ethyl 3-cyano-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: ethyl 3-cyano-6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 3-cyano-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 3-cyano-6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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