ethyl 2-[[3-(3-methylbutoxy)phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(3-methylbutoxy)phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-isopentyloxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3-methylbutoxy)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-isoamoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=CC=C3)OCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=CC=C3)OCCC(C)C

InChI

InChI=1S/C22H27NO4S/c1-4-26-22(25)19-17-9-6-10-18(17)28-21(19)23-20(24)15-7-5-8-16(13-15)27-12-11-14(2)3/h5,7-8,13-14H,4,6,9-12H2,1-3H3,(H,23,24)