N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-(4-methyl-5-piperonyl-thiazol-2-yl)isochroman-3-carboxamide Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N2O5S/c1-12-19(9-13-6-7-16-17(8-13)28-11-27-16)30-22(23-12)24-20(25)18-10-14-4-2-3-5-15(14)21(26)29-18/h2-8,18H,9-11H2,1H3,(H,23,24,25)