methyl 2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

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