2-[2-(6-ethoxy-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(6-ethoxy-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]ethanoic acid Openeye Name: 2-[2-(6-ethoxy-2-oxo-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]acetic acid CAS Name: 2-[[2-(6-ethoxy-2-oxo-1,3-benzothiazol-3-yl)ethoxy-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[2-(6-ethoxy-2-oxo-1,3-benzothiazol-3-yl)ethoxycarbothioylsulfanyl]acetic acid Traditional Name: 2-[2-(6-ethoxy-2-keto-1,3-benzothiazol-3-yl)ethoxycarbothioylthio]acetic acid Formula: C14H15NO5S3 MolecularWeight: 373.4676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)S2)CCOC(=S)SCC(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)S2)CCOC(=S)SCC(=O)O

InChI

InChI=1S/C14H15NO5S3/c1-2-19-9-3-4-10-11(7-9)23-13(18)15(10)5-6-20-14(21)22-8-12(16)17/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)