(4-cyanophenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (4-cyanobenzyl) ester Formula: C18H14N2O2S2 MolecularWeight: 354.44596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N2O2S2/c19-11-13-5-7-14(8-6-13)12-22-17(21)9-10-23-18-20-15-3-1-2-4-16(15)24-18/h1-8H,9-10,12H2