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

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-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 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (2-p-cumenylthiazol-4-yl)methyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O4S/c1-12(2)13-3-5-14(6-4-13)19-22-16(11-28-19)10-27-20(24)17-8-7-15(21)9-18(17)23(25)26/h3-9,11-12H,10H2,1-2H3