methyl 2-[2-(2-butan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-butan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(2-sec-butylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-butan-2-ylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-butan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-sec-butylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(CC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(CC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C24H31NO4S/c1-5-15(3)16-11-7-9-13-19(16)29-18(6-2)22(26)25-23-21(24(27)28-4)17-12-8-10-14-20(17)30-23/h7,9,11,13,15,18H,5-6,8,10,12,14H2,1-4H3,(H,25,26)