ethyl 3-[1-[(2-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxylate

Systemtic Name: ethyl 3-[1-[(2-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: ethyl 3-[1-[(2-ethoxyphenyl)carbamothioyl]-4-piperidyl]-2-oxo-oxazolidine-4-carboxylate CAS Name: 3-[1-[(2-ethoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-2-oxo-4-oxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-[(2-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate Traditional Name: 2-keto-3-[1-(o-phenetylthiocarbamoyl)-4-piperidyl]oxazolidine-4-carboxylic acid ethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCC(CC2)N3C(COC3=O)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCC(CC2)N3C(COC3=O)C(=O)OCC

InChI

InChI=1S/C20H27N3O5S/c1-3-26-17-8-6-5-7-15(17)21-19(29)22-11-9-14(10-12-22)23-16(13-28-20(23)25)18(24)27-4-2/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,21,29)