tert-butyl (E)-4-[3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-2-ethylsulfanyl-indol-3-yl]but-2-enoate

Systemtic Name: tert-butyl (E)-4-[3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-2-ethylsulfanyl-indol-3-yl]but-2-enoate Openeye Name: tert-butyl (E)-4-[3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-2-ethylsulfanyl-indol-3-yl]but-2-enoate CAS Name: (E)-4-[3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-2-(ethylthio)-3-indolyl]-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-4-[3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-2-ethylsulfanylindol-3-yl]but-2-enoate Traditional Name: (E)-4-[3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-2-(ethylthio)indol-3-yl]but-2-enoic acid tert-butyl ester Formula: C25H35NO4S MolecularWeight: 445.6147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2C1(CC=CC(=O)OC(C)(C)C)CC3OCC(CO3)(C)C

Isomeric SMILES

CCSC1=NC2=CC=CC=C2C1(C/C=C/C(=O)OC(C)(C)C)CC3OCC(CO3)(C)C

InChI

InChI=1S/C25H35NO4S/c1-7-31-22-25(18-11-8-9-12-19(18)26-22,14-10-13-20(27)30-23(2,3)4)15-21-28-16-24(5,6)17-29-21/h8-13,21H,7,14-17H2,1-6H3/b13-10+