(E)-1-[5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroindol-1-yl]-3-(2-phenethylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroindol-1-yl]-3-(2-phenethylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[5-methoxy-6-[2-(1-piperidyl)ethoxy]indolin-1-yl]-3-(2-phenethylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-[5-methoxy-6-[2-(1-piperidinyl)ethoxy]-2,3-dihydroindol-1-yl]-3-[2-(phenethylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroindol-1-yl]-3-(2-phenethylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[5-methoxy-6-(2-piperidinoethoxy)indolin-1-yl]-3-[2-(phenethylthio)phenyl]prop-2-en-1-one Formula: C33H38N2O3S MolecularWeight: 542.73142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN2C(=O)C=CC3=CC=CC=C3SCCC4=CC=CC=C4)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN2C(=O)/C=C/C3=CC=CC=C3SCCC4=CC=CC=C4)OCCN5CCCCC5

InChI

InChI=1S/C33H38N2O3S/c1-37-30-24-28-16-20-35(29(28)25-31(30)38-22-21-34-18-8-3-9-19-34)33(36)15-14-27-12-6-7-13-32(27)39-23-17-26-10-4-2-5-11-26/h2,4-7,10-15,24-25H,3,8-9,16-23H2,1H3/b15-14+