4-cyano-3-(4-methylphenyl)-5-morpholin-4-yl-thiophene-2-carboxylic acid

Systemtic Name: 4-cyano-3-(4-methylphenyl)-5-morpholin-4-yl-thiophene-2-carboxylic acid Openeye Name: 4-cyano-5-morpholino-3-(p-tolyl)thiophene-2-carboxylic acid CAS Name: 4-cyano-3-(4-methylphenyl)-5-(4-morpholinyl)-2-thiophenecarboxylic acid IUPAC Name: 4-cyano-3-(4-methylphenyl)-5-morpholin-4-ylthiophene-2-carboxylic acid Traditional Name: 4-cyano-5-morpholino-3-(p-tolyl)-2-thenoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)N3CCOCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)N3CCOCC3)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-11-2-4-12(5-3-11)14-13(10-18)16(23-15(14)17(20)21)19-6-8-22-9-7-19/h2-5H,6-9H2,1H3,(H,20,21)