2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]thio]acetate Formula: C12H11N2O4S2- MolecularWeight: 311.35674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C12H12N2O4S2/c1-18-7-2-3-8-9(4-7)20-12(13-8)14-10(15)5-19-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)(H,13,14,15)/p-1