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

Systemtic Name: methyl 3-methyl-2-[2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]but-2-enoate Openeye Name: methyl 3-methyl-2-[2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoate CAS Name: 3-methyl-2-[2-(methylthio)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoate Traditional Name: 2-[2-keto-4-(methylthio)-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SC)C

Isomeric SMILES

CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SC)C

InChI

InChI=1S/C18H22N2O4S/c1-11(2)15(18(23)24-3)20-16(22)14(17(20)25-4)19-13(21)10-12-8-6-5-7-9-12/h5-9,14,17H,10H2,1-4H3,(H,19,21)