3-methyl-2-(4-thiophen-2-ylbutanoylamino)benzoate

Systemtic Name: 3-methyl-2-(4-thiophen-2-ylbutanoylamino)benzoate Openeye Name: 3-methyl-2-[4-(2-thienyl)butanoylamino]benzoate CAS Name: 3-methyl-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]benzoate IUPAC Name: 3-methyl-2-(4-thiophen-2-ylbutanoylamino)benzoate Traditional Name: 3-methyl-2-[4-(2-thienyl)butanoylamino]benzoate Formula: C16H16NO3S- MolecularWeight: 302.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)CCCC2=CC=CS2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)CCCC2=CC=CS2)C(=O)[O-]

InChI

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