(2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 4-nitrobenzoate

Systemtic Name: (2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 4-nitrobenzoate Openeye Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methoxy-5-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-26-17-10-7-15(19(28)21-11-3-2-4-12-21)13-18(17)27-20(23)14-5-8-16(9-6-14)22(24)25/h5-10,13H,2-4,11-12H2,1H3