3-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17NO3S/c1-22-16-5-3-2-4-13(16)18-17(19)9-7-12-6-8-14-15(10-12)21-11-20-14/h2-6,8,10H,7,9,11H2,1H3,(H,18,19)