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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S2/c1-18-12(17)6-7-19-8-11(16)15-13-14-9-4-2-3-5-10(9)20-13/h2-5H,6-8H2,1H3,(H,14,15,16)