propyl 2-(5-butylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate

Systemtic Name: propyl 2-(5-butylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate Openeye Name: propyl 2-(5-butylsulfonyl-6-oxo-cyclohexa-2,4-dien-1-yl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophene-6-carboxylate CAS Name: 2-(5-butylsulfonyl-6-oxo-1-cyclohexa-2,4-dienyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid propyl ester IUPAC Name: propyl 2-(5-butylsulfonyl-6-oxocyclohexa-2,4-dien-1-yl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxylate Traditional Name: 2-(5-butylsulfonyl-6-keto-cyclohexa-2,4-dien-1-yl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophene-6-carboxylic acid propyl ester Formula: C36H41NO7S2 MolecularWeight: 663.84324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=CC(C1=O)C2=C(C3=C(S2)C=C(C=C3)C(=O)OCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=CC(C1=O)C2=C(C3=C(S2)C=C(C=C3)C(=O)OCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C36H41NO7S2/c1-3-5-23-46(41,42)31-11-9-10-29(34(31)39)35-32(28-17-14-26(24-30(28)45-35)36(40)44-21-4-2)33(38)25-12-15-27(16-13-25)43-22-20-37-18-7-6-8-19-37/h9-17,24,29H,3-8,18-23H2,1-2H3