dimethyl 3-methyl-5-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[1-(4-pyridyl)ethylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[1-(4-pyridyl)ethylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S2/c1-9-12(15(21)23-3)14(26-13(9)16(22)24-4)20-17(25)19-10(2)11-5-7-18-8-6-11/h5-8,10H,1-4H3,(H2,19,20,25)