dimethyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(3S)-3-ethoxycarbonylpiperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3S)-3-ethoxycarbonyl-1-piperidinyl]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(3S)-3-ethoxycarbonylpiperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(3S)-3-carbethoxypiperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H24N2O6S/c1-4-27-17(23)13-6-5-9-21(11-13)19(28)20-15-10-12(16(22)25-2)7-8-14(15)18(24)26-3/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,20,28)/t13-/m0/s1