methyl 4-(4-bromophenyl)-2-(butoxycarbonylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(butoxycarbonylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(butoxycarbonylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[butoxy(oxo)methyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(butoxycarbonylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(butoxycarbonylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=C(C(=C(S1)C)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCCCOC(=O)NC1=C(C(=C(S1)C)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C18H20BrNO4S/c1-4-5-10-24-18(22)20-16-15(17(21)23-3)14(11(2)25-16)12-6-8-13(19)9-7-12/h6-9H,4-5,10H2,1-3H3,(H,20,22)