2-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-methoxy-phenolate

Systemtic Name: 2-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-methoxy-phenolate Openeye Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-6-methoxy-phenolate CAS Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-6-methoxyphenolate IUPAC Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-6-methoxyphenolate Traditional Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-6-methoxy-phenolate Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[O-])C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3O2

Isomeric SMILES

COC1=CC=CC(=C1[O-])/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3O2

InChI

InChI=1S/C17H15N3O4S/c1-23-14-8-4-5-11(16(14)22)9-18-20-15(21)10-25-17-19-12-6-2-3-7-13(12)24-17/h2-9,22H,10H2,1H3,(H,20,21)/b18-9+