5-[(4-bromophenyl)methoxy]-4-oxidanylidene-3-[4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl]-5-sulfanylidene-pentanethioic S-acid

Systemtic Name: 5-[(4-bromophenyl)methoxy]-4-oxidanylidene-3-[4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl]-5-sulfanylidene-pentanethioic S-acid Openeye Name: 5-[(4-bromophenyl)methoxy]-4-oxo-3-[4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]-5-thioxo-pentanethioic S-acid CAS Name: 5-[(4-bromophenyl)methoxy]-4-oxo-3-[4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-azetidinyl]-5-sulfanylidenepentanethioic S-acid IUPAC Name: 5-[(4-bromophenyl)methoxy]-4-oxo-3-[4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]-5-sulfanylidenepentanethioic S-acid Traditional Name: 5-(4-bromobenzyl)oxy-4-keto-3-[4-keto-3-[(2-phenylacetyl)amino]azetidin-2-yl]-5-thioxo-thiovaleric acid Formula: C23H21BrN2O5S2 MolecularWeight: 549.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2C(NC2=O)C(CC(=O)S)C(=O)C(=S)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2C(NC2=O)C(CC(=O)S)C(=O)C(=S)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O5S2/c24-15-8-6-14(7-9-15)12-31-23(33)21(29)16(11-18(28)32)19-20(22(30)26-19)25-17(27)10-13-4-2-1-3-5-13/h1-9,16,19-20H,10-12H2,(H,25,27)(H,26,30)(H,28,32)