[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-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=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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