N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]propanamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)propionamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(S1)CC2=CC3=C(C=C2)OCO3)C)C#N

Isomeric SMILES

CCC(=O)NC1=C(C(=C(S1)CC2=CC3=C(C=C2)OCO3)C)C#N

InChI

InChI=1S/C17H16N2O3S/c1-3-16(20)19-17-12(8-18)10(2)15(23-17)7-11-4-5-13-14(6-11)22-9-21-13/h4-6H,3,7,9H2,1-2H3,(H,19,20)