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

Systemtic Name: methyl 5-[[4-(1,3-benzodioxol-5-ylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(1,3-benzodioxol-5-ylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-benzodioxol-5-ylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-(1,3-benzodioxol-5-ylthiocarbamoyl)morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O6S/c1-25-19(24)13-6-15(9-21-8-13)27-11-16-10-23(4-5-26-16)20(30)22-14-2-3-17-18(7-14)29-12-28-17/h2-3,6-9,16H,4-5,10-12H2,1H3,(H,22,30)