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

Systemtic Name: ethyl 2-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: ethyl 2-[(E)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono]methyl]benzoate CAS Name: 2-[(E)-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 2-[(E)-[[2-(1,3-benzothiazol-2-ylthio)acetyl]hydrazono]methyl]benzoic acid ethyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C=NNC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17N3O3S2/c1-2-25-18(24)14-8-4-3-7-13(14)11-20-22-17(23)12-26-19-21-15-9-5-6-10-16(15)27-19/h3-11H,2,12H2,1H3,(H,22,23)/b20-11+