methyl 4-[(E)-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylhydrazono]methyl]benzoate CAS Name: 4-[(E)-[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylhydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[3-(1,3-benzothiazol-2-ylthio)propanoylhydrazono]methyl]benzoic acid methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17N3O3S2/c1-25-18(24)14-8-6-13(7-9-14)12-20-22-17(23)10-11-26-19-21-15-4-2-3-5-16(15)27-19/h2-9,12H,10-11H2,1H3,(H,22,23)/b20-12+