(phenylmethyl) 2-[3-(2-acetyloxyethanoylamino)-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (phenylmethyl) 2-[3-(2-acetyloxyethanoylamino)-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[3-[(2-acetoxyacetyl)amino]-2-methylsulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[3-[(2-acetyloxy-1-oxoethyl)amino]-2-(methylthio)-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(2-acetyloxyacetyl)amino]-2-methylsulfanyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[3-[(2-acetoxyacetyl)amino]-2-keto-4-(methylthio)azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)COC(=O)C)SC)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)COC(=O)C)SC)C

InChI

InChI=1S/C20H24N2O6S/c1-12(2)17(20(26)28-10-14-8-6-5-7-9-14)22-18(25)16(19(22)29-4)21-15(24)11-27-13(3)23/h5-9,16,19H,10-11H2,1-4H3,(H,21,24)