2-[3-[2-(3-bromanylphenoxy)ethanoylamino]-2-oxidanylidene-4-(3-oxidanylidene-3-propoxy-propyl)sulfanyl-azetidin-1-yl]-3-methyl-but-2-enoic acid

Systemtic Name: 2-[3-[2-(3-bromanylphenoxy)ethanoylamino]-2-oxidanylidene-4-(3-oxidanylidene-3-propoxy-propyl)sulfanyl-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[3-[[2-(3-bromophenoxy)acetyl]amino]-2-oxo-4-(3-oxo-3-propoxy-propyl)sulfanyl-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 2-[3-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-2-oxo-4-[(3-oxo-3-propoxypropyl)thio]-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[3-[[2-(3-bromophenoxy)acetyl]amino]-2-oxo-4-(3-oxo-3-propoxypropyl)sulfanylazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[3-[[2-(3-bromophenoxy)acetyl]amino]-2-keto-4-[(3-keto-3-propoxy-propyl)thio]azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C22H27BrN2O7S MolecularWeight: 543.42798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCSC1C(C(=O)N1C(=C(C)C)C(=O)O)NC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CCCOC(=O)CCSC1C(C(=O)N1C(=C(C)C)C(=O)O)NC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C22H27BrN2O7S/c1-4-9-31-17(27)8-10-33-21-18(20(28)25(21)19(13(2)3)22(29)30)24-16(26)12-32-15-7-5-6-14(23)11-15/h5-7,11,18,21H,4,8-10,12H2,1-3H3,(H,24,26)(H,29,30)