dipropan-2-yl 3-methyl-5-(pyridin-4-ylcarbonylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 3-methyl-5-(pyridin-4-ylcarbonylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 3-methyl-5-(pyridine-4-carbonylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[oxo(pyridin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-methyl-5-(pyridine-4-carbonylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isonicotinoylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=S)NC(=O)C2=CC=NC=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=S)NC(=O)C2=CC=NC=C2)C(=O)OC(C)C

InChI

InChI=1S/C20H23N3O5S2/c1-10(2)27-18(25)14-12(5)15(19(26)28-11(3)4)30-17(14)23-20(29)22-16(24)13-6-8-21-9-7-13/h6-11H,1-5H3,(H2,22,23,24,29)