2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CN3C4=CC=CC=C4OC(C3=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CN3C4=CC=CC=C4OC(C3=O)CC(=O)O

InChI

InChI=1S/C18H14N2O4S/c21-17(22)9-14-18(23)20(12-6-2-3-7-13(12)24-14)10-16-19-11-5-1-4-8-15(11)25-16/h1-8,14H,9-10H2,(H,21,22)