methyl 2-[2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-phenyl-acetate CAS Name: 2-[2-(methylthio)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-phenylacetate Traditional Name: 2-[2-keto-4-(methylthio)-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-phenyl-acetic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC

InChI

InChI=1S/C21H22N2O4S/c1-27-21(26)18(15-11-7-4-8-12-15)23-19(25)17(20(23)28-2)22-16(24)13-14-9-5-3-6-10-14/h3-12,17-18,20H,13H2,1-2H3,(H,22,24)