[3-chloranyl-4-[6-ethanoyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] pentanoate

Systemtic Name: [3-chloranyl-4-[6-ethanoyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] pentanoate Openeye Name: [4-[6-acetyl-3-[4-[3-(1-piperidyl)propoxy]benzoyl]benzothiophen-2-yl]-3-chloro-phenyl] pentanoate CAS Name: pentanoic acid [4-[6-acetyl-3-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-2-yl]-3-chlorophenyl] ester IUPAC Name: [4-[6-acetyl-3-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1-benzothiophen-2-yl]-3-chlorophenyl] pentanoate Traditional Name: valeric acid [4-[6-acetyl-3-[4-(3-piperidinopropoxy)benzoyl]benzothiophen-2-yl]-3-chloro-phenyl] ester Formula: C36H38ClNO5S MolecularWeight: 632.20862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)C)C(=O)C4=CC=C(C=C4)OCCCN5CCCCC5)Cl

Isomeric SMILES

CCCCC(=O)OC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)C)C(=O)C4=CC=C(C=C4)OCCCN5CCCCC5)Cl

InChI

InChI=1S/C36H38ClNO5S/c1-3-4-9-33(40)43-28-15-17-29(31(37)23-28)36-34(30-16-12-26(24(2)39)22-32(30)44-36)35(41)25-10-13-27(14-11-25)42-21-8-20-38-18-6-5-7-19-38/h10-17,22-23H,3-9,18-21H2,1-2H3