3,5-dimethyl-2-[(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)carbothioylamino]benzoic acid

Systemtic Name: 3,5-dimethyl-2-[(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)carbothioylamino]benzoic acid Openeye Name: 2-[(6-hydroxy-2,5,7,8-tetramethyl-chromane-2-carbothioyl)amino]-3,5-dimethyl-benzoic acid CAS Name: 2-[[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-sulfanylidenemethyl]amino]-3,5-dimethylbenzoic acid IUPAC Name: 2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbothioyl)amino]-3,5-dimethylbenzoic acid Traditional Name: 2-[(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-carbothioyl)amino]-3,5-dimethyl-benzoic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NC(=S)C2(CCC3=C(C(=C(C(=C3O2)C)C)O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NC(=S)C2(CCC3=C(C(=C(C(=C3O2)C)C)O)C)C)C

InChI

InChI=1S/C23H27NO4S/c1-11-9-12(2)18(17(10-11)21(26)27)24-22(29)23(6)8-7-16-15(5)19(25)13(3)14(4)20(16)28-23/h9-10,25H,7-8H2,1-6H3,(H,24,29)(H,26,27)