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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c25-21(8-3-7-20-23-18-5-1-2-6-19(18)27-20)26-15-16-9-11-17(12-10-16)24-14-4-13-22-24/h1-2,4-6,9-14H,3,7-8,15H2