methyl 4-(4-bromophenyl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H20BrNO6S MolecularWeight: 506.3663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C22H20BrNO6S/c1-27-16-9-13(10-17(28-2)19(16)29-3)20(25)24-21-18(22(26)30-4)15(11-31-21)12-5-7-14(23)8-6-12/h5-11H,1-4H3,(H,24,25)