3-[ethyl(hexanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[ethyl(hexanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[ethyl(hexanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[ethyl(1-oxohexyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[ethyl(hexanoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[caproyl(ethyl)amino]-5-phenyl-2-thenoic acid Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC)C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCC(=O)N(CC)C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H23NO3S/c1-3-5-7-12-17(21)20(4-2)15-13-16(24-18(15)19(22)23)14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3,(H,22,23)