4-[[4,4-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4,4-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[(4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl)amino]benzoic acid CAS Name: 4-[[(4,4-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl)amino]benzoic acid Traditional Name: 4-[(1,1-diketo-4,4-dimethyl-2,3-dihydrothiochromene-6-carbonyl)amino]benzoic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCS(=O)(=O)C2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H19NO5S/c1-19(2)9-10-26(24,25)16-8-5-13(11-15(16)19)17(21)20-14-6-3-12(4-7-14)18(22)23/h3-8,11H,9-10H2,1-2H3,(H,20,21)(H,22,23)