2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]ethanoic acid Openeye Name: 2-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]acetic acid CAS Name: 2-[[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]acetic acid Traditional Name: 2-[2-(2-keto-1,3-benzothiazol-3-yl)ethoxycarbothioylthio]acetic acid Formula: C12H11NO4S3 MolecularWeight: 329.41504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCOC(=S)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCOC(=S)SCC(=O)O

InChI

InChI=1S/C12H11NO4S3/c14-10(15)7-19-12(18)17-6-5-13-8-3-1-2-4-9(8)20-11(13)16/h1-4H,5-7H2,(H,14,15)