6-methyl-3-[(E)-3-[3-(2-methylsulfanylethoxy)phenyl]prop-2-enoyl]-4-piperidin-1-yl-pyran-2-one

Systemtic Name: 6-methyl-3-[(E)-3-[3-(2-methylsulfanylethoxy)phenyl]prop-2-enoyl]-4-piperidin-1-yl-pyran-2-one Openeye Name: 6-methyl-3-[(E)-3-[3-(2-methylsulfanylethoxy)phenyl]prop-2-enoyl]-4-(1-piperidyl)pyran-2-one CAS Name: 6-methyl-3-[(E)-3-[3-[2-(methylthio)ethoxy]phenyl]-1-oxoprop-2-enyl]-4-(1-piperidinyl)-2-pyranone IUPAC Name: 6-methyl-3-[(E)-3-[3-(2-methylsulfanylethoxy)phenyl]prop-2-enoyl]-4-piperidin-1-ylpyran-2-one Traditional Name: 6-methyl-3-[(E)-3-[3-[2-(methylthio)ethoxy]phenyl]acryloyl]-4-piperidino-pyran-2-one Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)C(=O)C=CC2=CC(=CC=C2)OCCSC)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C(=O)O1)C(=O)/C=C/C2=CC(=CC=C2)OCCSC)N3CCCCC3

InChI

InChI=1S/C23H27NO4S/c1-17-15-20(24-11-4-3-5-12-24)22(23(26)28-17)21(25)10-9-18-7-6-8-19(16-18)27-13-14-29-2/h6-10,15-16H,3-5,11-14H2,1-2H3/b10-9+