2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-thiophen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-thiophen-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-thiophene-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-4-methyl-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methylthiophene-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-thiophene-2-carbonyl]amino]benzoic acid Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H15NO5S/c1-11-8-17(19(22)21-14-5-3-2-4-13(14)20(23)24)27-18(11)12-6-7-15-16(9-12)26-10-25-15/h2-9H,10H2,1H3,(H,21,22)(H,23,24)