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

Systemtic Name: methyl 2-[[4-(3-methylbutoxy)phenyl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-isopentyloxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methylbutoxy)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-isoamoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-13(2)11-12-26-15-9-7-14(8-10-15)19(23)22-20-18(21(24)25-3)16-5-4-6-17(16)27-20/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,23)