3-methyl-2-[(2R,3R)-2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]but-2-enoic acid

Systemtic Name: 3-methyl-2-[(2R,3R)-2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]but-2-enoic acid Openeye Name: 3-methyl-2-[(2R,3R)-2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoic acid CAS Name: 3-methyl-2-[(2R,3R)-2-(methylthio)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-2-butenoic acid IUPAC Name: 3-methyl-2-[(2R,3R)-2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoic acid Traditional Name: 2-[(3R,4R)-2-keto-4-(methylthio)-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=C(C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CC2=CC=CC=C2)SC)C

InChI

InChI=1S/C17H20N2O4S/c1-10(2)14(17(22)23)19-15(21)13(16(19)24-3)18-12(20)9-11-7-5-4-6-8-11/h4-8,13,16H,9H2,1-3H3,(H,18,20)(H,22,23)/t13-,16-/m1/s1