4-cyano-5-methylsulfanyl-3-(1-morpholin-4-ylethylideneamino)thiophene-2-carboxylic acid

Systemtic Name: 4-cyano-5-methylsulfanyl-3-(1-morpholin-4-ylethylideneamino)thiophene-2-carboxylic acid Openeye Name: 4-cyano-5-methylsulfanyl-3-(1-morpholinoethylideneamino)thiophene-2-carboxylic acid CAS Name: 4-cyano-5-(methylthio)-3-[1-(4-morpholinyl)ethylideneamino]-2-thiophenecarboxylic acid IUPAC Name: 4-cyano-5-methylsulfanyl-3-(1-morpholin-4-ylethylideneamino)thiophene-2-carboxylic acid Traditional Name: 4-cyano-5-(methylthio)-3-(1-morpholinoethylideneamino)-2-thenoic acid Formula: C13H15N3O3S2 MolecularWeight: 325.4065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C(SC(=C1C#N)SC)C(=O)O)N2CCOCC2

Isomeric SMILES

CC(=NC1=C(SC(=C1C#N)SC)C(=O)O)N2CCOCC2

InChI

InChI=1S/C13H15N3O3S2/c1-8(16-3-5-19-6-4-16)15-10-9(7-14)13(20-2)21-11(10)12(17)18/h3-6H2,1-2H3,(H,17,18)