1-[2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]ethanone

Systemtic Name: 1-[2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]ethanone Openeye Name: 1-[2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-6-yl]ethanone CAS Name: 1-[2-(4-hydroxyphenyl)-3-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl]ethanone IUPAC Name: 1-[2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]ethanone Traditional Name: 1-[2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-6-yl]ethanone Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C29H27NO4S/c1-19(31)22-8-13-25-26(18-22)35-29(21-4-9-23(32)10-5-21)27(25)28(33)20-6-11-24(12-7-20)34-17-16-30-14-2-3-15-30/h4-13,18,32H,2-3,14-17H2,1H3