(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-one

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-2-[(2-methyl-1-piperidyl)methyl]thiazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(2-methyl-1-piperidinyl)methyl]-4-thiazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-one Traditional Name: (5E)-2-[(2-methylpiperidino)methyl]-5-piperonylidene-2-thiazolin-4-one Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=NC(=O)C(=CC3=CC4=C(C=C3)OCO4)S2

Isomeric SMILES

CC1CCCCN1CC2=NC(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/S2

InChI

InChI=1S/C18H20N2O3S/c1-12-4-2-3-7-20(12)10-17-19-18(21)16(24-17)9-13-5-6-14-15(8-13)23-11-22-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3/b16-9+