[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: 3-(1,3-benzothiazol-2-yl)acrylic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3S/c1-22(2,3)16-10-8-15(9-11-16)18(24)14-26-21(25)13-12-20-23-17-6-4-5-7-19(17)27-20/h4-13H,14H2,1-3H3