4-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]benzoic acid Openeye Name: 4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzoic acid CAS Name: 4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzoic acid IUPAC Name: 4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzoic acid Traditional Name: 4-[(3-keto-1,4-benzothiazin-4-yl)methyl]benzoic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13NO3S/c18-15-10-21-14-4-2-1-3-13(14)17(15)9-11-5-7-12(8-6-11)16(19)20/h1-8H,9-10H2,(H,19,20)