cyanomethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: cyanomethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: cyanomethyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid cyanomethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC#N

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC#N

InChI

InChI=1S/C13H14N2O3S/c1-8(16)15-12-11(13(17)18-7-6-14)9-4-2-3-5-10(9)19-12/h2-5,7H2,1H3,(H,15,16)