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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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