(3-cyanophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (3-cyanophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3-cyanophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (3-cyanobenzyl) ester Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O2S/c19-11-13-4-3-5-14(10-13)12-22-18(21)9-8-17-20-15-6-1-2-7-16(15)23-17/h1-7,10H,8-9,12H2