2-(hexanoylamino)-4-phenyl-thiophene-3-carboxylic acid

Systemtic Name: 2-(hexanoylamino)-4-phenyl-thiophene-3-carboxylic acid Openeye Name: 2-(hexanoylamino)-4-phenyl-thiophene-3-carboxylic acid CAS Name: 2-(1-oxohexylamino)-4-phenyl-3-thiophenecarboxylic acid IUPAC Name: 2-(hexanoylamino)-4-phenylthiophene-3-carboxylic acid Traditional Name: 2-(caproylamino)-4-phenyl-3-thenoic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H19NO3S/c1-2-3-5-10-14(19)18-16-15(17(20)21)13(11-22-16)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H,18,19)(H,20,21)