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

Systemtic Name: 4-methyl-3-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[(1-oxoisothiochromene-3-carbonyl)amino]benzoic acid CAS Name: 4-methyl-3-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(1-oxoisothiochromene-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(1-ketoisothiochromene-3-carbonyl)amino]-4-methyl-benzoic acid Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

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