2-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylthio)acetyl]hydrazono]methyl]benzoic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C17H13N3O4S/c21-15(10-25-17-19-13-7-3-4-8-14(13)24-17)20-18-9-11-5-1-2-6-12(11)16(22)23/h1-9H,10H2,(H,20,21)(H,22,23)/b18-9+