1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H17N3O2S/c1-23(2)16-9-7-14(8-10-16)11-15(12-21)20(24)25-13-19-22-17-5-3-4-6-18(17)26-19/h3-11H,13H2,1-2H3/b15-11+