2-(3-methylsulfanyl-5-phenylmethoxy-4-propoxy-phenyl)prop-2-enal

Systemtic Name: 2-(3-methylsulfanyl-5-phenylmethoxy-4-propoxy-phenyl)prop-2-enal Openeye Name: 2-(3-benzyloxy-5-methylsulfanyl-4-propoxy-phenyl)prop-2-enal CAS Name: 2-[3-(methylthio)-5-phenylmethoxy-4-propoxyphenyl]-2-propenal IUPAC Name: 2-(3-methylsulfanyl-5-phenylmethoxy-4-propoxyphenyl)prop-2-enal Traditional Name: 2-[3-benzoxy-5-(methylthio)-4-propoxy-phenyl]acrolein Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1SC)C(=C)C=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(C=C(C=C1SC)C(=C)C=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22O3S/c1-4-10-22-20-18(23-14-16-8-6-5-7-9-16)11-17(15(2)13-21)12-19(20)24-3/h5-9,11-13H,2,4,10,14H2,1,3H3