dimethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-benzene-1,4-dicarboxylate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-5-nitrobenzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitrobenzene-1,4-dicarboxylate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-5-nitro-benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC(=C(C=C2C(=O)OC)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC(=C(C=C2C(=O)OC)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C16H15N3O6S/c1-8-5-9(2)18-16(17-8)26-13-7-10(14(20)24-3)12(19(22)23)6-11(13)15(21)25-4/h5-7H,1-4H3