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

Systemtic Name: methyl 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(2-sec-butylphenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-butan-2-ylphenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-sec-butylphenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-5-14(2)16-10-6-8-12-18(16)28-15(3)21(25)24-22-20(23(26)27-4)17-11-7-9-13-19(17)29-22/h6,8,10,12,14-15H,5,7,9,11,13H2,1-4H3,(H,24,25)