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

Systemtic Name: 2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(pentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-oxopentylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(valerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-2-3-8-11(16)15-13-12(14(17)18)9-6-4-5-7-10(9)19-13/h2-8H2,1H3,(H,15,16)(H,17,18)/p-1