methyl 2-oxidanylidene-3-[1-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

Systemtic Name: methyl 2-oxidanylidene-3-[1-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate Openeye Name: methyl 2-oxo-3-[1-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-4-piperidyl]oxazolidine-4-carboxylate CAS Name: 2-oxo-3-[1-[sulfanylidene-[(3,4,5-trimethoxyphenyl)methylamino]methyl]-4-piperidinyl]-4-oxazolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-3-[1-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate Traditional Name: 2-keto-3-[1-[(3,4,5-trimethoxybenzyl)thiocarbamoyl]-4-piperidyl]oxazolidine-4-carboxylic acid methyl ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCC(CC2)N3C(COC3=O)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCC(CC2)N3C(COC3=O)C(=O)OC

InChI

InChI=1S/C21H29N3O7S/c1-27-16-9-13(10-17(28-2)18(16)29-3)11-22-20(32)23-7-5-14(6-8-23)24-15(19(25)30-4)12-31-21(24)26/h9-10,14-15H,5-8,11-12H2,1-4H3,(H,22,32)