diethyl 3-methyl-5-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-(1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(3-pyrazol-1-ylpropylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCN2C=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCN2C=CC=N2

InChI

InChI=1S/C18H24N4O4S2/c1-4-25-16(23)13-12(3)14(17(24)26-5-2)28-15(13)21-18(27)19-8-6-10-22-11-7-9-20-22/h7,9,11H,4-6,8,10H2,1-3H3,(H2,19,21,27)