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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-triazolyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyltriazol-4-yl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2S/c25-20(26-14-19-21-17-8-4-5-9-18(17)27-19)11-10-16-13-24(23-22-16)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2/b11-10+