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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2S/c1-14(2)16-9-7-15(8-10-16)11-17(12-22)21(24)25-13-20-23-18-5-3-4-6-19(18)26-20/h3-11,14H,13H2,1-2H3/b17-11+