2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoic acid CAS Name: 2-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]benzoic acid IUPAC Name: 2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoic acid Traditional Name: 2-[(1-ketoisothiochromene-3-carbonyl)amino]benzoic acid Formula: C17H11NO4S MolecularWeight: 325.33854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H11NO4S/c19-15(18-13-8-4-3-7-12(13)16(20)21)14-9-10-5-1-2-6-11(10)17(22)23-14/h1-9H,(H,18,19)(H,20,21)