3-[[4,5-dimethyl-2-(propanoylamino)thiophen-3-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4,5-dimethyl-2-(propanoylamino)thiophen-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]benzoic acid CAS Name: 3-[[[4,5-dimethyl-2-(1-oxopropylamino)-3-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]benzoic acid Traditional Name: 3-[(4,5-dimethyl-2-propionamido-thiophene-3-carbonyl)amino]benzoic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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