methyl 2-(4-hexanoyloxy-2-methyl-phenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(4-hexanoyloxy-2-methyl-phenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(4-hexanoyloxy-2-methyl-phenyl)-3-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]benzothiophene-6-carboxylate CAS Name: 2-[2-methyl-4-(1-oxohexoxy)phenyl]-3-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-hexanoyloxy-2-methylphenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophene-6-carboxylate Traditional Name: 2-(4-caproyloxy-2-methyl-phenyl)-3-[4-(3-piperidinopropoxy)benzyl]benzothiophene-6-carboxylic acid methyl ester Formula: C38H45NO5S MolecularWeight: 627.8326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)OCCCN5CCCCC5)C

Isomeric SMILES

CCCCCC(=O)OC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)OCCCN5CCCCC5)C

InChI

InChI=1S/C38H45NO5S/c1-4-5-7-11-36(40)44-31-17-19-32(27(2)24-31)37-34(33-18-14-29(38(41)42-3)26-35(33)45-37)25-28-12-15-30(16-13-28)43-23-10-22-39-20-8-6-9-21-39/h12-19,24,26H,4-11,20-23,25H2,1-3H3