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

Systemtic Name: dimethyl 3-methyl-5-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C=CC=N2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C=CC=N2)C(=O)OC

InChI

InChI=1S/C16H20N4O4S2/c1-10-11(14(21)23-2)13(26-12(10)15(22)24-3)19-16(25)17-6-4-8-20-9-5-7-18-20/h5,7,9H,4,6,8H2,1-3H3,(H2,17,19,25)