N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(phenylthio)propanamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(phenylthio)propionamide Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CCSC3=CC=CC=C3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CCSC3=CC=CC=C3)OCO2

InChI

InChI=1S/C18H17NO4S/c1-12(20)14-9-16-17(23-11-22-16)10-15(14)19-18(21)7-8-24-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,21)