(2-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) 3-nitrobenzoate Openeye Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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