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

Systemtic Name: diethyl 3-methyl-5-(pyridin-4-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(4-pyridylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(pyridin-4-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-pyridylmethylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=NC=C2

InChI

InChI=1S/C18H21N3O4S2/c1-4-24-16(22)13-11(3)14(17(23)25-5-2)27-15(13)21-18(26)20-10-12-6-8-19-9-7-12/h6-9H,4-5,10H2,1-3H3,(H2,20,21,26)