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

Systemtic Name: methyl 3-[1-[2-(2,5-dimethoxyphenyl)ethylcarbamothioyl]piperidin-4-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: methyl 3-[1-[2-(2,5-dimethoxyphenyl)ethylcarbamothioyl]-4-piperidyl]-2-oxo-oxazolidine-4-carboxylate CAS Name: 3-[1-[[2-(2,5-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]-2-oxo-4-oxazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-[2-(2,5-dimethoxyphenyl)ethylcarbamothioyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate Traditional Name: 3-[1-[2-(2,5-dimethoxyphenyl)ethylthiocarbamoyl]-4-piperidyl]-2-keto-oxazolidine-4-carboxylic acid methyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCC(CC2)N3C(COC3=O)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCC(CC2)N3C(COC3=O)C(=O)OC

InChI

InChI=1S/C21H29N3O6S/c1-27-16-4-5-18(28-2)14(12-16)6-9-22-20(31)23-10-7-15(8-11-23)24-17(19(25)29-3)13-30-21(24)26/h4-5,12,15,17H,6-11,13H2,1-3H3,(H,22,31)