5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]carbonyl]-2-(2-piperidin-1-ylethoxy)benzenecarbonitrile hydrochloride

Systemtic Name: 5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]carbonyl]-2-(2-piperidin-1-ylethoxy)benzenecarbonitrile hydrochloride Openeye Name: 5-[6-methoxy-2-(4-methoxyphenyl)benzothiophene-3-carbonyl]-2-[2-(1-piperidyl)ethoxy]benzonitrile hydrochloride CAS Name: 5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]-2-[2-(1-piperidinyl)ethoxy]benzonitrile hydrochloride IUPAC Name: 5-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbonyl]-2-(2-piperidin-1-ylethoxy)benzonitrile hydrochloride Traditional Name: 5-[6-methoxy-2-(4-methoxyphenyl)benzothiophene-3-carbonyl]-2-(2-piperidinoethoxy)benzonitrile hydrochloride Formula: C31H31ClN2O4S MolecularWeight: 563.10684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC(=C(C=C4)OCCN5CCCCC5)C#N.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC(=C(C=C4)OCCN5CCCCC5)C#N.Cl

InChI

InChI=1S/C31H30N2O4S.ClH/c1-35-24-9-6-21(7-10-24)31-29(26-12-11-25(36-2)19-28(26)38-31)30(34)22-8-13-27(23(18-22)20-32)37-17-16-33-14-4-3-5-15-33;/h6-13,18-19H,3-5,14-17H2,1-2H3;1H