[4-(4-methyl-1,3-thiazol-2-yl)phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: [4-(4-methylthiazol-2-yl)phenyl] 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid [4-(4-methyl-2-thiazolyl)phenyl] ester IUPAC Name: [4-(4-methyl-1,3-thiazol-2-yl)phenyl] 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid [4-(4-methylthiazol-2-yl)phenyl] ester Formula: C18H14N2O5S2 MolecularWeight: 402.44416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

Isomeric SMILES

CC1=CSC(=N1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

InChI

InChI=1S/C18H14N2O5S2/c1-11-10-26-17(19-11)12-3-5-13(6-4-12)25-27(22,23)14-7-8-15-16(9-14)24-18(21)20(15)2/h3-10H,1-2H3