[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H11BrN2O3S/c17-11-5-3-4-10(8-11)15(21)22-9-14(20)19-16-18-12-6-1-2-7-13(12)23-16/h1-8H,9H2,(H,18,19,20)