2-[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]carbonyl]phenyl]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]carbonyl]phenyl]ethanenitrile Openeye Name: 2-[2-methoxy-4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophene-3-carbonyl]phenyl]acetonitrile CAS Name: 2-[2-methoxy-4-[oxo-[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methyl]phenyl]acetonitrile IUPAC Name: 2-[2-methoxy-4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophene-3-carbonyl]phenyl]acetonitrile Traditional Name: 2-[2-methoxy-4-[2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophene-3-carbonyl]phenyl]acetonitrile Formula: C30H28N2O3S MolecularWeight: 496.61992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5)CC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5)CC#N

InChI

InChI=1S/C30H28N2O3S/c1-34-26-20-23(9-8-21(26)14-15-31)29(33)28-25-6-2-3-7-27(25)36-30(28)22-10-12-24(13-11-22)35-19-18-32-16-4-5-17-32/h2-3,6-13,20H,4-5,14,16-19H2,1H3