diethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]propanedioate

Systemtic Name: diethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]propanedioate Openeye Name: diethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]propanedioate CAS Name: 2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]propanedioate Traditional Name: 2-[(2,5-dimethoxyphenyl)thiocarbamoylamino]malonic acid diethyl ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=S)NC1=C(C=CC(=C1)OC)OC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=S)NC1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C16H22N2O6S/c1-5-23-14(19)13(15(20)24-6-2)18-16(25)17-11-9-10(21-3)7-8-12(11)22-4/h7-9,13H,5-6H2,1-4H3,(H2,17,18,25)