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

Systemtic Name: ethyl 2,4-dimethyl-5-[(prop-2-enylcarbamothioylamino)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(allylcarbamothioylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazo]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(prop-2-enylcarbamothioylamino)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(allylthiocarbamoylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=S)NCC=C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=S)NCC=C)C

InChI

InChI=1S/C14H20N4O3S/c1-5-7-15-14(22)18-17-12(19)11-8(3)10(9(4)16-11)13(20)21-6-2/h5,16H,1,6-7H2,2-4H3,(H,17,19)(H2,15,18,22)