N-(1,3-benzodioxol-5-ylmethyl)-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(5-methyl-2-thienyl)-4,7-dioxo-heptanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(5-methyl-2-thiophenyl)-4,7-dioxoheptanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide Traditional Name: 4,7-diketo-7-(5-methyl-2-thienyl)-N-piperonyl-enanthamide Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO5S/c1-13-2-8-19(27-13)16(23)6-4-15(22)5-9-20(24)21-11-14-3-7-17-18(10-14)26-12-25-17/h2-3,7-8,10H,4-6,9,11-12H2,1H3,(H,21,24)