[4-(thiophen-2-ylcarbonylamino)phenyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [4-(2-thenoylamino)phenyl] ester Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H18BrNO5S/c1-3-27-19-16(22)11-13(12-17(19)26-2)21(25)28-15-8-6-14(7-9-15)23-20(24)18-5-4-10-29-18/h4-12H,3H2,1-2H3,(H,23,24)