ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S2/c1-2-18-12(17)8-19-7-11(16)15-13-14-9-5-3-4-6-10(9)20-13/h3-6H,2,7-8H2,1H3,(H,14,15,16)