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

Systemtic Name: methyl 6-methyl-2-[2-(2,3,6-trimethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(2,3,6-trimethylphenoxy)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=CC(=C3C)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=CC(=C3C)C)C

InChI

InChI=1S/C22H27NO4S/c1-12-6-9-16-17(10-12)28-21(19(16)22(25)26-5)23-18(24)11-27-20-14(3)8-7-13(2)15(20)4/h7-8,12H,6,9-11H2,1-5H3,(H,23,24)