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

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-(2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-(2-oxo-4-phenyl-oxazolidin-3-yl)piperidine-1-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-(2-oxo-4-phenyl-3-oxazolidinyl)-1-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]butanoate Traditional Name: 2-[[4-(2-keto-4-phenyl-oxazolidin-3-yl)piperidine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-28-19(25)17(10-13-30-2)22-20(26)23-11-8-16(9-12-23)24-18(14-29-21(24)27)15-6-4-3-5-7-15/h3-7,16-18H,8-14H2,1-2H3,(H,22,26)