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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(3,5-dimethoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(3,5-dimethoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(3,5-dimethoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3,5-dimethoxybenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)OC

InChI

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