2-[methyl-(1-oxidanylideneisothiochromen-3-yl)carbonyl-amino]benzoic acid

Systemtic Name: 2-[methyl-(1-oxidanylideneisothiochromen-3-yl)carbonyl-amino]benzoic acid Openeye Name: 2-[methyl-(1-oxoisothiochromene-3-carbonyl)amino]benzoic acid CAS Name: 2-[methyl-[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]benzoic acid IUPAC Name: 2-[methyl-(1-oxoisothiochromene-3-carbonyl)amino]benzoic acid Traditional Name: 2-[(1-ketoisothiochromene-3-carbonyl)-methyl-amino]benzoic acid Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C18H13NO4S/c1-19(14-9-5-4-8-13(14)17(21)22)16(20)15-10-11-6-2-3-7-12(11)18(23)24-15/h2-10H,1H3,(H,21,22)