2-[2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]ethanoate

Systemtic Name: 2-[2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]ethanoate Openeye Name: 2-[2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]acetate CAS Name: 2-[[2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)ethoxy-sulfanylidenemethyl]thio]acetate IUPAC Name: 2-[2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]acetate Traditional Name: 2-[2-(6-bromo-2-keto-1,3-benzothiazol-3-yl)ethoxycarbothioylthio]acetate Formula: C12H9BrNO4S3- MolecularWeight: 407.30316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=O)N2CCOC(=S)SCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=O)N2CCOC(=S)SCC(=O)[O-]

InChI

InChI=1S/C12H10BrNO4S3/c13-7-1-2-8-9(5-7)21-11(17)14(8)3-4-18-12(19)20-6-10(15)16/h1-2,5H,3-4,6H2,(H,15,16)/p-1