3-methyl-4-(4-thiophen-2-ylbutanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(4-thiophen-2-ylbutanoylamino)benzoic acid Openeye Name: 3-methyl-4-[4-(2-thienyl)butanoylamino]benzoic acid CAS Name: 3-methyl-4-[(1-oxo-4-thiophen-2-ylbutyl)amino]benzoic acid IUPAC Name: 3-methyl-4-(4-thiophen-2-ylbutanoylamino)benzoic acid Traditional Name: 3-methyl-4-[4-(2-thienyl)butanoylamino]benzoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C16H17NO3S/c1-11-10-12(16(19)20)7-8-14(11)17-15(18)6-2-4-13-5-3-9-21-13/h3,5,7-10H,2,4,6H2,1H3,(H,17,18)(H,19,20)