(2-methylphenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: (2-methylphenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: o-tolylmethyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid (2-methylbenzyl) ester Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C

InChI

InChI=1S/C19H16N2O4S2/c1-12-5-3-4-6-14(12)10-25-18(22)16-9-15(21(23)24)7-8-17(16)27-19-20-13(2)11-26-19/h3-9,11H,10H2,1-2H3