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

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H15ClN2O5S2 MolecularWeight: 462.9265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O5S2/c1-11-10-29-20(22-11)30-17-7-6-14(9-16(17)23(26)27)19(25)28-12(2)18(24)13-4-3-5-15(21)8-13/h3-10,12H,1-2H3