2-[3,3-bis(bromanyl)-2-oxidanylidene-4-(phenylmethyl)sulfinamoyl-azetidin-1-yl]-3-methyl-but-2-enoic acid

Systemtic Name: 2-[3,3-bis(bromanyl)-2-oxidanylidene-4-(phenylmethyl)sulfinamoyl-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-(2-benzylsulfinamoyl-3,3-dibromo-4-oxo-azetidin-1-yl)-3-methyl-but-2-enoic acid CAS Name: 2-[3,3-dibromo-2-oxo-4-(phenylmethyl)sulfinamoyl-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-(2-benzylsulfinamoyl-3,3-dibromo-4-oxoazetidin-1-yl)-3-methylbut-2-enoic acid Traditional Name: 2-(2-benzylsulfinamoyl-3,3-dibromo-4-keto-azetidin-1-yl)-3-methyl-but-2-enoic acid Formula: C15H16Br2N2O4S MolecularWeight: 480.17154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C(C(C1=O)(Br)Br)S(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC(=C(C(=O)O)N1C(C(C1=O)(Br)Br)S(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C15H16Br2N2O4S/c1-9(2)11(12(20)21)19-13(22)15(16,17)14(19)24(23)18-8-10-6-4-3-5-7-10/h3-7,14,18H,8H2,1-2H3,(H,20,21)