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

Systemtic Name: 2-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazono]methyl]benzoate CAS Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 2-[(E)-[[2-(1,3-benzoxazol-2-ylthio)acetyl]hydrazono]methyl]benzoate Formula: C17H12N3O4S- MolecularWeight: 354.35988

Click to see the large picture

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)/p-1/b18-9+