3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(1-oxo-2-phenylbutyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(2-phenylbutanoylamino)-2-thenoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(S2)C(=O)O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(S2)C(=O)O)C

InChI

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