2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-thiophen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-thiophen-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-thiophene-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-thiophene-2-carbonyl]amino]benzoic acid Formula: C21H17NO5S MolecularWeight: 395.42838

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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)OCCO4

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H17NO5S/c1-12-10-18(20(23)22-15-5-3-2-4-14(15)21(24)25)28-19(12)13-6-7-16-17(11-13)27-9-8-26-16/h2-7,10-11H,8-9H2,1H3,(H,22,23)(H,24,25)