methyl 2-(2-ethanoylsulfanylethanoylimino)-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2-ethanoylsulfanylethanoylimino)-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-acetylsulfanylacetyl)imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(acetylthio)-1-oxoethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-acetylsulfanylacetyl)imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(acetylthio)acetyl]imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CC(=O)OC

Isomeric SMILES

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CC(=O)OC

InChI

InChI=1S/C16H16N2O6S2/c1-9(19)25-8-13(20)17-16-18(7-14(21)23-2)11-5-4-10(15(22)24-3)6-12(11)26-16/h4-6H,7-8H2,1-3H3