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

Systemtic Name: methyl 2-[2-(2,4-ditert-butylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2,4-ditert-butylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C26H35NO4S/c1-25(2,3)16-12-13-19(18(14-16)26(4,5)6)31-15-21(28)27-23-22(24(29)30-7)17-10-8-9-11-20(17)32-23/h12-14H,8-11,15H2,1-7H3,(H,27,28)