N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-[1-(1,3-benzodioxol-5-yl)ethyl]acetamide Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H23NO5S/c1-13(15-4-7-19-20(9-15)27-12-26-19)22-21(24)11-28-10-17-8-16(14(2)23)5-6-18(17)25-3/h4-9,13H,10-12H2,1-3H3,(H,22,24)