4-[(2-oxidanyl-1-oxidanylidene-3,4-dihydro-1$l^{4},4-benzothiazin-2-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-oxidanyl-1-oxidanylidene-3,4-dihydro-1$l^{4},4-benzothiazin-2-yl)methyl]benzoic acid Openeye Name: 4-[(2-hydroxy-1-oxo-3,4-dihydro-1$l^{4},4-benzothiazin-2-yl)methyl]benzoic acid CAS Name: 4-[(2-hydroxy-1-oxo-3,4-dihydro-1$l^{4},4-benzothiazin-2-yl)methyl]benzoic acid IUPAC Name: 4-[(2-hydroxy-1-oxo-3,4-dihydro-1$l^{4},4-benzothiazin-2-yl)methyl]benzoic acid Traditional Name: 4-[(2-hydroxy-1-keto-3,4-dihydro-1$l^{4},4-benzothiazin-2-yl)methyl]benzoic acid Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(S(=O)C2=CC=CC=C2N1)(CC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1C(S(=O)C2=CC=CC=C2N1)(CC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C16H15NO4S/c18-15(19)12-7-5-11(6-8-12)9-16(20)10-17-13-3-1-2-4-14(13)22(16)21/h1-8,17,20H,9-10H2,(H,18,19)