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

Systemtic Name: propyl 2-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S2/c1-2-11-26-19(25)15-8-4-3-7-14(15)12-21-23-18(24)13-27-20-22-16-9-5-6-10-17(16)28-20/h3-10,12H,2,11,13H2,1H3,(H,23,24)/b21-12+