2-[2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-2-(4-phenylmethoxyphenyl)ethanoic acid

Systemtic Name: 2-[2-methylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-2-(4-phenylmethoxyphenyl)ethanoic acid Openeye Name: 2-(4-benzyloxyphenyl)-2-[2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid CAS Name: 2-[2-(methylthio)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-2-(4-phenylmethoxyphenyl)acetic acid IUPAC Name: 2-[2-methylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-2-(4-phenylmethoxyphenyl)acetic acid Traditional Name: 2-(4-benzoxyphenyl)-2-[2-keto-4-(methylthio)-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetic acid Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(C(=O)N1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CSC1C(C(=O)N1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5S/c1-35-26-23(28-22(30)16-18-8-4-2-5-9-18)25(31)29(26)24(27(32)33)20-12-14-21(15-13-20)34-17-19-10-6-3-7-11-19/h2-15,23-24,26H,16-17H2,1H3,(H,28,30)(H,32,33)