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

Systemtic Name: [2-(4-ethoxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Openeye Name: [2-(4-ethoxyphenyl)-6-hydroxy-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone CAS Name: [2-(4-ethoxyphenyl)-6-hydroxy-1-benzothiophen-3-yl]-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone IUPAC Name: [2-(4-ethoxyphenyl)-6-hydroxy-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Traditional Name: (6-hydroxy-2-p-phenetyl-benzothiophen-3-yl)-[4-(2-pyrrolidinoethoxy)phenyl]methanone Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

InChI

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