methyl 5-methyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[1-(4-pyridyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-[1-(4-pyridyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H17N3O2S2 MolecularWeight: 335.44438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC(C)C2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC(C)C2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C15H17N3O2S2/c1-9-8-12(14(19)20-3)13(22-9)18-15(21)17-10(2)11-4-6-16-7-5-11/h4-8,10H,1-3H3,(H2,17,18,21)