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

Systemtic Name: dimethyl 2-[(4-ethoxycarbonylpiperidin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-ethoxycarbonyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-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)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H24N2O6S/c1-4-27-17(23)12-7-9-21(10-8-12)19(28)20-15-11-13(16(22)25-2)5-6-14(15)18(24)26-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,28)