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

Systemtic Name: methyl 4-(4-bromophenyl)-5-methyl-2-(propoxycarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-5-methyl-2-(propoxycarbonylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-methyl-2-[[oxo(propoxy)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-5-methyl-2-(propoxycarbonylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-methyl-2-(propoxycarbonylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4S/c1-4-9-23-17(21)19-15-14(16(20)22-3)13(10(2)24-15)11-5-7-12(18)8-6-11/h5-8H,4,9H2,1-3H3,(H,19,21)