3-cyanopropyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: 3-cyanopropyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: 3-cyanopropyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid 3-cyanopropyl ester Formula: C19H16N2O2S2 MolecularWeight: 368.47254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)OCCCC#N

InChI

InChI=1S/C19H16N2O2S2/c20-11-3-4-12-23-18(22)15-9-7-14(8-10-15)13-24-19-21-16-5-1-2-6-17(16)25-19/h1-2,5-10H,3-4,12-13H2