4-[(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)carbonylamino]benzoic acid Openeye Name: 4-[(4,4-dimethylthiochromane-7-carbonyl)amino]benzoic acid CAS Name: 4-[[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4,4-dimethyl-2,3-dihydrothiochromene-7-carbonyl)amino]benzoic acid Traditional Name: 4-[(4,4-dimethylthiochroman-7-carbonyl)amino]benzoic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H19NO3S/c1-19(2)9-10-24-16-11-13(5-8-15(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)