3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(1-oxo-4-phenylbutyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(4-phenylbutanoylamino)-2-thenoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H17NO3S/c1-11-10-14(21-15(11)16(19)20)17-13(18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,18)(H,19,20)