2-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propoxycarbothioylsulfanyl]ethanoate

Systemtic Name: 2-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propoxycarbothioylsulfanyl]ethanoate Openeye Name: 2-[3-(2-oxo-1,3-benzothiazol-3-yl)propoxycarbothioylsulfanyl]acetate CAS Name: 2-[[3-(2-oxo-1,3-benzothiazol-3-yl)propoxy-sulfanylidenemethyl]thio]acetate IUPAC Name: 2-[3-(2-oxo-1,3-benzothiazol-3-yl)propoxycarbothioylsulfanyl]acetate Traditional Name: 2-[3-(2-keto-1,3-benzothiazol-3-yl)propoxycarbothioylthio]acetate Formula: C13H12NO4S3- MolecularWeight: 342.43368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC(=S)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC(=S)SCC(=O)[O-]

InChI

InChI=1S/C13H13NO4S3/c15-11(16)8-20-13(19)18-7-3-6-14-9-4-1-2-5-10(9)21-12(14)17/h1-2,4-5H,3,6-8H2,(H,15,16)/p-1