diethyl 3-methyl-5-(pyridin-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(pyridin-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(4-pyridylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(pyridin-4-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-pyridylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=NC=C2

InChI

InChI=1S/C17H19N3O4S2/c1-4-23-15(21)12-10(3)13(16(22)24-5-2)26-14(12)20-17(25)19-11-6-8-18-9-7-11/h6-9H,4-5H2,1-3H3,(H2,18,19,20,25)