methyl 2-[2-(2-oxidanylidene-2-phenacyloxy-ethyl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(2-oxidanylidene-2-phenacyloxy-ethyl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(2-oxo-2-phenacyloxy-ethyl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-[(2-oxo-2-phenacyloxyethyl)thio]ethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-oxo-2-phenacyloxyethyl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[(2-keto-2-phenacyloxy-ethyl)thio]acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O6S2/c1-28-20(27)14-7-8-15-17(9-14)31-21(22-15)23-18(25)11-30-12-19(26)29-10-16(24)13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,22,23,25)