methyl 2-[[4-[2-oxidanylidene-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[4-[2-oxidanylidene-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-[2-oxo-5-(phenoxymethyl)oxazolidin-3-yl]piperidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-[2-oxo-5-(phenoxymethyl)-3-oxazolidinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-[2-keto-5-(phenoxymethyl)oxazolidin-3-yl]piperidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCC(CC1)N2CC(OC2=O)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=S)N1CCC(CC1)N2CC(OC2=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O5S/c1-25-17(23)11-20-18(28)21-9-7-14(8-10-21)22-12-16(27-19(22)24)13-26-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,20,28)