methyl 2-(2-ethanoylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-ethanoylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-acetylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(acetylthio)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-acetylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(acetylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C14H17NO4S2 MolecularWeight: 327.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CC(=O)SCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C14H17NO4S2/c1-8(16)20-7-11(17)15-13-12(14(18)19-2)9-5-3-4-6-10(9)21-13/h3-7H2,1-2H3,(H,15,17)