2-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid CAS Name: 2-[[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C17H16N2O4S/c1-17(2)7-11-13(12(20)8-17)24-16(18-11)19-14(21)9-5-3-4-6-10(9)15(22)23/h3-6H,7-8H2,1-2H3,(H,22,23)(H,18,19,21)