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

Systemtic Name: ethyl 2-[(5-bromanyl-2-propoxy-phenyl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-propoxy-benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-propoxyphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-propoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-propoxy-benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC

InChI

InChI=1S/C20H22BrNO4S/c1-3-10-26-15-9-8-12(21)11-14(15)18(23)22-19-17(20(24)25-4-2)13-6-5-7-16(13)27-19/h8-9,11H,3-7,10H2,1-2H3,(H,22,23)