3-[(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 3-[(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)carbamoyl]benzenesulfonic acid Openeye Name: 3-[(2-thioxo-3H-1,3-benzoxazol-5-yl)carbamoyl]benzenesulfonic acid CAS Name: 3-[oxo-[(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)amino]methyl]benzenesulfonic acid IUPAC Name: 3-[(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)carbamoyl]benzenesulfonic acid Traditional Name: 3-[(2-thioxo-3H-1,3-benzoxazol-5-yl)carbamoyl]besylic acid Formula: C14H10N2O5S2 MolecularWeight: 350.3696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)NC2=CC3=C(C=C2)OC(=S)N3

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)NC2=CC3=C(C=C2)OC(=S)N3

InChI

InChI=1S/C14H10N2O5S2/c17-13(8-2-1-3-10(6-8)23(18,19)20)15-9-4-5-12-11(7-9)16-14(22)21-12/h1-7H,(H,15,17)(H,16,22)(H,18,19,20)