2-[2-acetyloxy-3-methylsulfanyl-4-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid

Systemtic Name: 2-[2-acetyloxy-3-methylsulfanyl-4-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid Openeye Name: 2-[2-acetoxy-3-methylsulfanyl-4-oxo-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid CAS Name: 2-[2-acetyloxy-3-(methylthio)-4-oxo-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azetidinyl]-2-(4-hydroxyphenyl)acetic acid IUPAC Name: 2-[2-acetyloxy-3-methylsulfanyl-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid Traditional Name: 2-[2-acetoxy-4-keto-3-(methylthio)-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=O)N1C(C2=CC=C(C=C2)O)C(=O)O)(NC(=O)CC3=CC=CS3)SC

Isomeric SMILES

CC(=O)OC1C(C(=O)N1C(C2=CC=C(C=C2)O)C(=O)O)(NC(=O)CC3=CC=CS3)SC

InChI

InChI=1S/C20H20N2O7S2/c1-11(23)29-19-20(30-2,21-15(25)10-14-4-3-9-31-14)18(28)22(19)16(17(26)27)12-5-7-13(24)8-6-12/h3-9,16,19,24H,10H2,1-2H3,(H,21,25)(H,26,27)