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

Systemtic Name: 2-(pentanoylamino)-4-phenyl-thiophene-3-carboxylic acid Openeye Name: 2-(pentanoylamino)-4-phenyl-thiophene-3-carboxylic acid CAS Name: 2-(1-oxopentylamino)-4-phenyl-3-thiophenecarboxylic acid IUPAC Name: 2-(pentanoylamino)-4-phenylthiophene-3-carboxylic acid Traditional Name: 4-phenyl-2-(valerylamino)-3-thenoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3S/c1-2-3-9-13(18)17-15-14(16(19)20)12(10-21-15)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)(H,19,20)