methyl 5-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylcarbamoyl]thiophene-2-carboxylate CAS Name: 5-[[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-(2-bromo-4,5-dimethoxyphenyl)ethylcarbamoyl]thiophene-2-carboxylate Traditional Name: 5-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylcarbamoyl]thiophene-2-carboxylic acid methyl ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(S2)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(S2)C(=O)OC)Br)OC

InChI

InChI=1S/C17H18BrNO5S/c1-22-12-8-10(11(18)9-13(12)23-2)6-7-19-16(20)14-4-5-15(25-14)17(21)24-3/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)