[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C20H21NO3S/c22-18(21-15-6-2-3-7-15)12-24-20(23)17-11-14-10-9-13-5-1-4-8-16(13)19(14)25-17/h1,4-5,8,11,15H,2-3,6-7,9-10,12H2,(H,21,22)