propan-2-yl 4-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: propan-2-yl 4-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: isopropyl 4-[(E)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(E)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(1,3-benzothiazol-2-ylthio)acetyl]hydrazono]methyl]benzoic acid isopropyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

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