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

Systemtic Name: ethyl 4-[[4-(4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 4-[[4-(4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(4-methyl-2-oxo-5-phenyl-3-oxazolidinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2-keto-4-methyl-5-phenyl-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)N1CCC(CC1)N2C(C(OC2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CCCNC(=S)N1CCC(CC1)N2C(C(OC2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H31N3O4S/c1-3-28-19(26)10-7-13-23-21(30)24-14-11-18(12-15-24)25-16(2)20(29-22(25)27)17-8-5-4-6-9-17/h4-6,8-9,16,18,20H,3,7,10-15H2,1-2H3,(H,23,30)