methyl 4-methylsulfanyl-2-[[4-[2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-[2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]carbonylamino]butanoate Openeye Name: methyl 2-[[4-(4-benzyl-2-oxo-oxazolidin-3-yl)piperidine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[2-oxo-4-(phenylmethyl)-3-oxazolidinyl]-1-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(4-benzyl-2-keto-oxazolidin-3-yl)piperidine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCC(CC1)N2C(COC2=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)N1CCC(CC1)N2C(COC2=O)CC3=CC=CC=C3

InChI

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