[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H17BrN2O3S2 MolecularWeight: 465.38388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17BrN2O3S2/c1-12(13-6-8-14(20)9-7-13)21-17(23)10-25-18(24)11-26-19-22-15-4-2-3-5-16(15)27-19/h2-9,12H,10-11H2,1H3,(H,21,23)