methyl 3-(2-ethanoylsulfanylethanoylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(2-ethanoylsulfanylethanoylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(2-acetylsulfanylacetyl)amino]benzothiophene-2-carboxylate CAS Name: 3-[[2-(acetylthio)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-acetylsulfanylacetyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(acetylthio)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=C(SC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(=O)SCC(=O)NC1=C(SC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C14H13NO4S2/c1-8(16)20-7-11(17)15-12-9-5-3-4-6-10(9)21-13(12)14(18)19-2/h3-6H,7H2,1-2H3,(H,15,17)