4-[(2,2-dimethyl-1,3-benzoxathiol-5-yl)carbonylamino]benzoate

Systemtic Name: 4-[(2,2-dimethyl-1,3-benzoxathiol-5-yl)carbonylamino]benzoate Openeye Name: 4-[(2,2-dimethyl-1,3-benzoxathiole-5-carbonyl)amino]benzoate CAS Name: 4-[[(2,2-dimethyl-1,3-benzoxathiol-5-yl)-oxomethyl]amino]benzoate IUPAC Name: 4-[(2,2-dimethyl-1,3-benzoxathiole-5-carbonyl)amino]benzoate Traditional Name: 4-[(2,2-dimethyl-1,3-benzoxathiole-5-carbonyl)amino]benzoate Formula: C17H14NO4S- MolecularWeight: 328.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4S/c1-17(2)22-13-8-5-11(9-14(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)/p-1