diethyl 2,5-dimethyl-1-(methylcarbamothioylamino)pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl 2,5-dimethyl-1-(methylcarbamothioylamino)pyrrole-3,4-dicarboxylate Openeye Name: diethyl 2,5-dimethyl-1-(methylcarbamothioylamino)pyrrole-3,4-dicarboxylate CAS Name: 2,5-dimethyl-1-[[methylamino(sulfanylidene)methyl]amino]pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-dimethyl-1-(methylcarbamothioylamino)pyrrole-3,4-dicarboxylate Traditional Name: 2,5-dimethyl-1-(methylthiocarbamoylamino)pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)NC(=S)NC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)NC(=S)NC)C

InChI

InChI=1S/C14H21N3O4S/c1-6-20-12(18)10-8(3)17(16-14(22)15-5)9(4)11(10)13(19)21-7-2/h6-7H2,1-5H3,(H2,15,16,22)