1-[4-methoxy-2-(phenylmethylsulfanyl)-5-propan-2-yloxy-phenyl]hex-2-ynyl ethanoate

Systemtic Name: 1-[4-methoxy-2-(phenylmethylsulfanyl)-5-propan-2-yloxy-phenyl]hex-2-ynyl ethanoate Openeye Name: 1-(2-benzylsulfanyl-5-isopropoxy-4-methoxy-phenyl)hex-2-ynyl acetate CAS Name: acetic acid 1-[4-methoxy-2-(phenylmethylthio)-5-propan-2-yloxyphenyl]hex-2-ynyl ester IUPAC Name: 1-(2-benzylsulfanyl-4-methoxy-5-propan-2-yloxyphenyl)hex-2-ynyl acetate Traditional Name: acetic acid 1-[2-(benzylthio)-5-isopropoxy-4-methoxy-phenyl]hex-2-ynyl ester Formula: C25H30O4S MolecularWeight: 426.5683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(C1=CC(=C(C=C1SCC2=CC=CC=C2)OC)OC(C)C)OC(=O)C

Isomeric SMILES

CCCC#CC(C1=CC(=C(C=C1SCC2=CC=CC=C2)OC)OC(C)C)OC(=O)C

InChI

InChI=1S/C25H30O4S/c1-6-7-9-14-22(29-19(4)26)21-15-24(28-18(2)3)23(27-5)16-25(21)30-17-20-12-10-8-11-13-20/h8,10-13,15-16,18,22H,6-7,17H2,1-5H3