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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S2/c1-17-11(16)7-18-6-10(15)14-12-13-8-4-2-3-5-9(8)19-12/h2-5H,6-7H2,1H3,(H,13,14,15)