(4-pyrazol-1-ylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H17N3O2S/c24-20(11-10-19-22-17-4-1-2-5-18(17)26-19)25-14-15-6-8-16(9-7-15)23-13-3-12-21-23/h1-9,12-13H,10-11,14H2