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

Systemtic Name: ethyl 2-(2-ethanoylsulfanylethanoylimino)-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSC(=O)C)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSC(=O)C)S2)CC(=O)OC

InChI

InChI=1S/C17H18N2O6S2/c1-4-25-16(23)11-5-6-12-13(7-11)27-17(19(12)8-15(22)24-3)18-14(21)9-26-10(2)20/h5-7H,4,8-9H2,1-3H3