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

Systemtic Name: methyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C)Br

InChI

InChI=1S/C20H22BrNO4S/c1-11-8-13(21)9-12(2)18(11)26-10-16(23)22-19-17(20(24)25-3)14-6-4-5-7-15(14)27-19/h8-9H,4-7,10H2,1-3H3,(H,22,23)