2-[4-[(5-bromanyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(5-bromanyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C18H13BrN2O4S MolecularWeight: 433.27582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)CC(=O)O)CC3=NC4=C(S3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(O2)CC(=O)O)CC3=NC4=C(S3)C=CC(=C4)Br

InChI

InChI=1S/C18H13BrN2O4S/c19-10-5-6-15-11(7-10)20-16(26-15)9-21-12-3-1-2-4-13(12)25-14(18(21)24)8-17(22)23/h1-7,14H,8-9H2,(H,22,23)