methyl 5-[[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate

Systemtic Name: methyl 5-[[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-(piperonylthiocarbamoyl)morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6S/c1-26-20(25)15-7-16(10-22-9-15)28-12-17-11-24(4-5-27-17)21(31)23-8-14-2-3-18-19(6-14)30-13-29-18/h2-3,6-7,9-10,17H,4-5,8,11-13H2,1H3,(H,23,31)