[2-(3-methyl-4-oxidanyl-phenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Systemtic Name: [2-(3-methyl-4-oxidanyl-phenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: [6-hydroxy-2-(4-hydroxy-3-methyl-phenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: [6-hydroxy-2-(4-hydroxy-3-methylphenyl)-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: [6-hydroxy-2-(4-hydroxy-3-methylphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: [6-hydroxy-2-(4-hydroxy-3-methyl-phenyl)benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)O

InChI

InChI=1S/C29H29NO4S/c1-19-17-21(7-12-25(19)32)29-27(24-11-8-22(31)18-26(24)35-29)28(33)20-5-9-23(10-6-20)34-16-15-30-13-3-2-4-14-30/h5-12,17-18,31-32H,2-4,13-16H2,1H3