2-[methyl(4-thiophen-2-ylbutanoyl)amino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)CCCC2=CC=CS2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)CCCC2=CC=CS2

InChI

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