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

Systemtic Name: methyl 4-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S2/c1-24-17(23)13-8-6-12(7-9-13)10-19-21-16(22)11-25-18-20-14-4-2-3-5-15(14)26-18/h2-10H,11H2,1H3,(H,21,22)/b19-10+