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

Systemtic Name: 4-(4-bromophenyl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: 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-thiophenecarboxylate IUPAC Name: 4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thenoate Formula: C21H17BrNO6S- MolecularWeight: 491.33178

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO6S/c1-27-15-8-12(9-16(28-2)18(15)29-3)19(24)23-20-17(21(25)26)14(10-30-20)11-4-6-13(22)7-5-11/h4-10H,1-3H3,(H,23,24)(H,25,26)/p-1