1,3-benzothiazol-2-ylmethyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H15N3O3S MolecularWeight: 365.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O3S/c1-24-15-11-22(13-7-3-2-4-8-13)21-18(15)19(23)25-12-17-20-14-9-5-6-10-16(14)26-17/h2-11H,12H2,1H3