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

Systemtic Name: ethyl 2-[(5-bromanyl-2-ethoxy-phenyl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-ethoxy-benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-ethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-ethoxy-benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC

InChI

InChI=1S/C19H20BrNO4S/c1-3-24-14-9-8-11(20)10-13(14)17(22)21-18-16(19(23)25-4-2)12-6-5-7-15(12)26-18/h8-10H,3-7H2,1-2H3,(H,21,22)