1,3-benzothiazol-2-ylmethyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O2S/c25-21(26-15-20-23-18-8-4-5-9-19(18)27-20)11-10-17-12-22-24(14-17)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2/b11-10+