(2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O7S/c1-3-31-20-13-15(21(33)23-9-5-4-6-10-23)7-8-19(20)32-22(26)16-11-17(24(27)28)14(2)18(12-16)25(29)30/h7-8,11-13H,3-6,9-10H2,1-2H3