7-[2-[2-[(E)-5-tert-butylsulfanylpent-1-enyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: 7-[2-[2-[(E)-5-tert-butylsulfanylpent-1-enyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 7-[2-[2-[(E)-5-tert-butylsulfanylpent-1-enyl]-5-methyl-oxazol-4-yl]ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 7-[2-[2-[(E)-5-(tert-butylthio)pent-1-enyl]-5-methyl-4-oxazolyl]ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 7-[2-[2-[(E)-5-tert-butylsulfanylpent-1-enyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 7-[2-[2-[(E)-5-(tert-butylthio)pent-1-enyl]-5-methyl-oxazol-4-yl]ethoxy]-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C26H35N2O4S- MolecularWeight: 471.6321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C=CCCCSC(C)(C)C)CCOC2=CC3=C(CCN(C3C(=O)[O-])C)C=C2

Isomeric SMILES

CC1=C(N=C(O1)/C=C/CCCSC(C)(C)C)CCOC2=CC3=C(CCN(C3C(=O)[O-])C)C=C2

InChI

InChI=1S/C26H36N2O4S/c1-18-22(27-23(32-18)9-7-6-8-16-33-26(2,3)4)13-15-31-20-11-10-19-12-14-28(5)24(25(29)30)21(19)17-20/h7,9-11,17,24H,6,8,12-16H2,1-5H3,(H,29,30)/p-1/b9-7+