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

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-methylsulfanyl-3-(2-oxidanylethanoylamino)-4-oxidanylidene-azetidin-1-yl]but-2-enoate Openeye Name: benzyl 2-[3-[(2-hydroxyacetyl)amino]-2-methylsulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[3-[(2-hydroxy-1-oxoethyl)amino]-2-(methylthio)-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(2-hydroxyacetyl)amino]-2-methylsulfanyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[3-(glycoloylamino)-2-keto-4-(methylthio)azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-11(2)15(18(24)25-10-12-7-5-4-6-8-12)20-16(23)14(17(20)26-3)19-13(22)9-21/h4-8,14,17,21H,9-10H2,1-3H3,(H,19,22)