(4-pyrazol-1-ylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S/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/h1-13H,14H2/b11-10+