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

Systemtic Name: methyl 2-(2-ethylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(2-ethylphenyl)-3-[4-[3-(1-piperidyl)propoxy]benzoyl]benzothiophene-6-carboxylate CAS Name: 2-(2-ethylphenyl)-3-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1-benzothiophene-6-carboxylate Traditional Name: 2-(2-ethylphenyl)-3-[4-(3-piperidinopropoxy)benzoyl]benzothiophene-6-carboxylic acid methyl ester Formula: C33H35NO4S MolecularWeight: 541.7003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)OCCCN5CCCCC5

Isomeric SMILES

CCC1=CC=CC=C1C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)OCCCN5CCCCC5

InChI

InChI=1S/C33H35NO4S/c1-3-23-10-5-6-11-27(23)32-30(28-17-14-25(33(36)37-2)22-29(28)39-32)31(35)24-12-15-26(16-13-24)38-21-9-20-34-18-7-4-8-19-34/h5-6,10-17,22H,3-4,7-9,18-21H2,1-2H3