4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)carbonylamino]benzoic acid Openeye Name: 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepine-7-carbonyl)amino]benzoic acid CAS Name: 4-[[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepine-7-carbonyl)amino]benzoic acid Traditional Name: 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-carbonyl)amino]benzoic acid Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)SC1)C

Isomeric SMILES

CC1(CSC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)SC1)C

InChI

InChI=1S/C19H19NO3S2/c1-19(2)10-24-15-8-5-13(9-16(15)25-11-19)17(21)20-14-6-3-12(4-7-14)18(22)23/h3-9H,10-11H2,1-2H3,(H,20,21)(H,22,23)