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

Systemtic Name: ethyl 2-(2-ethanoylsulfanylethanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-acetylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(acetylthio)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(acetylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S2/c1-3-20-13(19)9-4-5-10-11(6-9)22-14(15-10)16-12(18)7-21-8(2)17/h4-6H,3,7H2,1-2H3,(H,15,16,18)