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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-6-methyl-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:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C19H19BrClNO4S/c1-10-3-5-12-15(7-10)27-18(17(12)19(24)25-2)22-16(23)9-26-14-6-4-11(21)8-13(14)20/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,22,23)