[3-(ethoxycarbonylamino)phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid [3-(carbethoxyamino)phenyl] ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

Isomeric SMILES

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

InChI

InChI=1S/C17H16N2O7S/c1-3-24-16(20)18-11-5-4-6-12(9-11)26-27(22,23)13-7-8-14-15(10-13)25-17(21)19(14)2/h4-10H,3H2,1-2H3,(H,18,20)