2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid CAS Name: 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid IUPAC Name: 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid Traditional Name: 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-keto-1,4-benzothiazin-2-yl]acetic acid Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)CN3C4=CC=CC=C4SC(C3=O)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)CN3C4=CC=CC=C4SC(C3=O)CC(=O)O)C

InChI

InChI=1S/C20H18N2O3S2/c1-11-7-12(2)19-13(8-11)21-17(27-19)10-22-14-5-3-4-6-15(14)26-16(20(22)25)9-18(23)24/h3-8,16H,9-10H2,1-2H3,(H,23,24)