ethyl 1-[(E)-3-[4-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[(E)-3-[4-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[(E)-3-[4-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylate CAS Name: 1-[(E)-3-[4-(3,4-dihydro-1,2-benzodioxin-6-ylthio)-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-[4-(3,4-dihydro-1,2-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylate Traditional Name: 1-[(E)-3-[4-(3,4-dihydro-1,2-benzodioxin-6-ylthio)-3-(trifluoromethyl)phenyl]acryloyl]pipecolinic acid ethyl ester Formula: C26H26F3NO5S MolecularWeight: 521.54855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C=CC2=CC(=C(C=C2)SC3=CC4=C(C=C3)OOCC4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OOCC4)C(F)(F)F

InChI

InChI=1S/C26H26F3NO5S/c1-2-33-25(32)21-5-3-4-13-30(21)24(31)11-7-17-6-10-23(20(15-17)26(27,28)29)36-19-8-9-22-18(16-19)12-14-34-35-22/h6-11,15-16,21H,2-5,12-14H2,1H3/b11-7+