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

Systemtic Name: methyl 2-[(3-bromophenyl)carbonylamino]-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-bromobenzoyl)amino]-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-bromobenzoyl)amino]-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H18BrNO4S/c1-12-17(13-7-9-16(26-2)10-8-13)18(21(25)27-3)20(28-12)23-19(24)14-5-4-6-15(22)11-14/h4-11H,1-3H3,(H,23,24)