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

Systemtic Name: 4-[(2,2-dimethyl-1,3-benzoxathiol-6-yl)carbonylamino]benzoic acid Openeye Name: 4-[(2,2-dimethyl-1,3-benzoxathiole-6-carbonyl)amino]benzoic acid CAS Name: 4-[[(2,2-dimethyl-1,3-benzoxathiol-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2,2-dimethyl-1,3-benzoxathiole-6-carbonyl)amino]benzoic acid Traditional Name: 4-[(2,2-dimethyl-1,3-benzoxathiole-6-carbonyl)amino]benzoic acid Formula: C17H15NO4S MolecularWeight: 329.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(S1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(OC2=C(S1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H15NO4S/c1-17(2)22-13-9-11(5-8-14(13)23-17)15(19)18-12-6-3-10(4-7-12)16(20)21/h3-9H,1-2H3,(H,18,19)(H,20,21)