ethyl 5-[(ethylcarbamothioylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(ethylcarbamothioylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(ethylcarbamothioylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[ethylamino(sulfanylidene)methyl]hydrazo]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(ethylcarbamothioylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(ethylthiocarbamoylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C

Isomeric SMILES

CCNC(=S)NNC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C

InChI

InChI=1S/C13H20N4O3S/c1-5-14-13(21)17-16-11(18)10-7(3)9(8(4)15-10)12(19)20-6-2/h15H,5-6H2,1-4H3,(H,16,18)(H2,14,17,21)