tert-butyl 2-azanyl-4-methylsulfanyl-2-[[(4Z)-5-oxidanylidene-4-(phenylmethylidene)-1,3-oxazol-2-yl]methylcarbamoyl]butanoate

Systemtic Name: tert-butyl 2-azanyl-4-methylsulfanyl-2-[[(4Z)-5-oxidanylidene-4-(phenylmethylidene)-1,3-oxazol-2-yl]methylcarbamoyl]butanoate Openeye Name: tert-butyl 2-amino-2-[[(4Z)-4-benzylidene-5-oxo-oxazol-2-yl]methylcarbamoyl]-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)-2-[oxo-[[(4Z)-5-oxo-4-(phenylmethylene)-2-oxazolyl]methylamino]methyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-[[(4Z)-4-benzylidene-5-oxo-1,3-oxazol-2-yl]methylcarbamoyl]-4-methylsulfanylbutanoate Traditional Name: 2-amino-2-[[(4Z)-4-benzal-5-keto-2-oxazolin-2-yl]methylcarbamoyl]-4-(methylthio)butyric acid tert-butyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCSC)(C(=O)NCC1=NC(=CC2=CC=CC=C2)C(=O)O1)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CCSC)(C(=O)NCC1=N/C(=C\C2=CC=CC=C2)/C(=O)O1)N

InChI

InChI=1S/C21H27N3O5S/c1-20(2,3)29-19(27)21(22,10-11-30-4)18(26)23-13-16-24-15(17(25)28-16)12-14-8-6-5-7-9-14/h5-9,12H,10-11,13,22H2,1-4H3,(H,23,26)/b15-12-