4-[[2-(butanoylamino)-5-methyl-thiophen-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(butanoylamino)-5-methyl-thiophen-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(butanoylamino)-5-methyl-thiophene-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[5-methyl-2-(1-oxobutylamino)-3-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(butanoylamino)-5-methylthiophene-3-carbonyl]amino]benzoic acid Traditional Name: 4-[(2-butyramido-5-methyl-thiophene-3-carbonyl)amino]benzoic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(S1)C)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=C(C=C(S1)C)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18N2O4S/c1-3-4-14(20)19-16-13(9-10(2)24-16)15(21)18-12-7-5-11(6-8-12)17(22)23/h5-9H,3-4H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)