[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H19NO3S/c1-14(2)15-7-9-16(10-8-15)18(23)13-25-21(24)12-11-20-22-17-5-3-4-6-19(17)26-20/h3-12,14H,13H2,1-2H3/b12-11+