2-[(5E)-3-methyl-5-[(2E)-2-[3-methyl-5-(trioxidanylsulfanyl)-1,3-benzoxazol-2-ylidene]ethylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]ethanoic acid

Systemtic Name: 2-[(5E)-3-methyl-5-[(2E)-2-[3-methyl-5-(trioxidanylsulfanyl)-1,3-benzoxazol-2-ylidene]ethylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]ethanoic acid Openeye Name: 2-[(5E)-3-methyl-5-[(2E)-2-[3-methyl-5-(trioxidanylsulfanyl)-1,3-benzoxazol-2-ylidene]ethylidene]-2,4,6-trioxo-hexahydropyrimidin-1-yl]acetic acid CAS Name: 2-[(5E)-3-methyl-5-[(2E)-2-[3-methyl-5-(trioxidanylthio)-1,3-benzoxazol-2-ylidene]ethylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid IUPAC Name: 2-[(5E)-3-methyl-5-[(2E)-2-[3-methyl-5-(trioxidanylsulfanyl)-1,3-benzoxazol-2-ylidene]ethylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid Traditional Name: 2-[(5E)-2,4,6-triketo-3-methyl-5-[(2E)-2-[3-methyl-5-(trioxidanylthio)-1,3-benzoxazol-2-ylidene]ethylidene]hexahydropyrimidin-1-yl]acetic acid Formula: C17H15N3O9S MolecularWeight: 437.3807

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)SOOO)OC1=CC=C3C(=O)N(C(=O)N(C3=O)CC(=O)O)C

Isomeric SMILES

CN\1C2=C(C=CC(=C2)SOOO)O/C1=C/C=C/3\C(=O)N(C(=O)N(C3=O)CC(=O)O)C

InChI

InChI=1S/C17H15N3O9S/c1-18-11-7-9(30-29-28-26)3-5-12(11)27-13(18)6-4-10-15(23)19(2)17(25)20(16(10)24)8-14(21)22/h3-7,26H,8H2,1-2H3,(H,21,22)/b10-4+,13-6+