2-[3-benzamido-2-oxidanylidene-4-(2-oxidanylidenepropylsulfanyl)azetidin-1-yl]-2-(4-phenylmethoxyphenyl)ethanoic acid

Systemtic Name: 2-[3-benzamido-2-oxidanylidene-4-(2-oxidanylidenepropylsulfanyl)azetidin-1-yl]-2-(4-phenylmethoxyphenyl)ethanoic acid Openeye Name: 2-(2-acetonylsulfanyl-3-benzamido-4-oxo-azetidin-1-yl)-2-(4-benzyloxyphenyl)acetic acid CAS Name: 2-[3-benzamido-2-oxo-4-(2-oxopropylthio)-1-azetidinyl]-2-(4-phenylmethoxyphenyl)acetic acid IUPAC Name: 2-[3-benzamido-2-oxo-4-(2-oxopropylsulfanyl)azetidin-1-yl]-2-(4-phenylmethoxyphenyl)acetic acid Traditional Name: 2-[2-(acetonylthio)-3-benzamido-4-keto-azetidin-1-yl]-2-(4-benzoxyphenyl)acetic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O6S/c1-18(31)17-37-27-23(29-25(32)21-10-6-3-7-11-21)26(33)30(27)24(28(34)35)20-12-14-22(15-13-20)36-16-19-8-4-2-5-9-19/h2-15,23-24,27H,16-17H2,1H3,(H,29,32)(H,34,35)