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

Systemtic Name: ethyl 4-[[4-[2-oxidanylidene-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 4-[[4-[2-oxo-5-(phenoxymethyl)oxazolidin-3-yl]piperidine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[2-oxo-5-(phenoxymethyl)-3-oxazolidinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-[2-keto-5-(phenoxymethyl)oxazolidin-3-yl]piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)N1CCC(CC1)N2CC(OC2=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC(=S)N1CCC(CC1)N2CC(OC2=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O5S/c1-2-28-20(26)9-6-12-23-21(31)24-13-10-17(11-14-24)25-15-19(30-22(25)27)16-29-18-7-4-3-5-8-18/h3-5,7-8,17,19H,2,6,9-16H2,1H3,(H,23,31)