[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfonylbenzoate

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfonylbenzoate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (2-p-cumenylthiazol-4-yl)methyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H21NO4S2/c1-14(2)15-8-10-16(11-9-15)20-22-17(13-27-20)12-26-21(23)18-6-4-5-7-19(18)28(3,24)25/h4-11,13-14H,12H2,1-3H3