1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O2S/c1-15-18(16(2)25(24-15)17-8-4-3-5-9-17)12-13-22(26)27-14-21-23-19-10-6-7-11-20(19)28-21/h3-13H,14H2,1-2H3