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

Systemtic Name: ethyl 2-(2-ethanoylsulfanylethanoylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-acetylsulfanylacetyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(acetylthio)-1-oxoethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetylsulfanylacetyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(acetylthio)acetyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S2/c1-4-24-16(22)12-5-6-13-14(9-12)26-17(19(13)7-8-23-3)18-15(21)10-25-11(2)20/h5-6,9H,4,7-8,10H2,1-3H3