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

Systemtic Name: methyl 5-[[4-(2,3-dihydro-1H-inden-2-ylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(indan-2-ylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[(2,3-dihydro-1H-inden-2-ylamino)-sulfanylidenemethyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dihydro-1H-inden-2-ylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-(indan-2-ylthiocarbamoyl)morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=S)NC3CC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=S)NC3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O4S/c1-27-21(26)17-10-19(12-23-11-17)29-14-20-13-25(6-7-28-20)22(30)24-18-8-15-4-2-3-5-16(15)9-18/h2-5,10-12,18,20H,6-9,13-14H2,1H3,(H,24,30)