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

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-p-cumenylthiazol-4-yl)methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4S/c1-13(2)15-4-6-16(7-5-15)20-22-18(12-28-20)11-27-21(24)17-8-9-19(23(25)26)14(3)10-17/h4-10,12-13H,11H2,1-3H3