methyl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=C(SC=C2)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=C(SC=C2)C(=O)OC)Br

InChI

InChI=1S/C16H16BrNO4S/c1-21-13-5-3-10(9-11(13)17)4-6-14(19)18-12-7-8-23-15(12)16(20)22-2/h3,5,7-9H,4,6H2,1-2H3,(H,18,19)