5-[4-[butyl(methyl)amino]-3-cyano-phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-[butyl(methyl)amino]-3-cyano-phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[4-[butyl(methyl)amino]-3-cyano-phenyl]thiophene-2-carboxylic acid CAS Name: 5-[4-[butyl(methyl)amino]-3-cyanophenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-[butyl(methyl)amino]-3-cyanophenyl]thiophene-2-carboxylic acid Traditional Name: 5-[4-[butyl(methyl)amino]-3-cyano-phenyl]-2-thenoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C2=CC=C(S2)C(=O)O)C#N

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C2=CC=C(S2)C(=O)O)C#N

InChI

InChI=1S/C17H18N2O2S/c1-3-4-9-19(2)14-6-5-12(10-13(14)11-18)15-7-8-16(22-15)17(20)21/h5-8,10H,3-4,9H2,1-2H3,(H,20,21)