[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O4S/c18-11-5-7-12(8-6-11)23-10-16(22)24-9-15(21)20-17-19-13-3-1-2-4-14(13)25-17/h1-8H,9-10H2,(H,19,20,21)