methyl 2-(2-ethanoylsulfanylethanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2-ethanoylsulfanylethanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(2-acetylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(acetylthio)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-acetylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(acetylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H12N2O4S2/c1-7(16)20-6-11(17)15-13-14-9-4-3-8(12(18)19-2)5-10(9)21-13/h3-5H,6H2,1-2H3,(H,14,15,17)