ethyl 2-(pentanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 2-(pentanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-(pentanoylamino)-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-(1-oxopentylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(pentanoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-(valerylamino)-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OCC

InChI

InChI=1S/C20H23NO3S/c1-3-5-10-16(22)21-19-17(20(23)24-4-2)15-12-11-13-8-6-7-9-14(13)18(15)25-19/h6-9H,3-5,10-12H2,1-2H3,(H,21,22)