methyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H19BrClNO4S MolecularWeight: 472.78046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C19H19BrClNO4S/c1-10(26-14-8-7-11(21)9-13(14)20)17(23)22-18-16(19(24)25-2)12-5-3-4-6-15(12)27-18/h7-10H,3-6H2,1-2H3,(H,22,23)