methyl 4-ethyl-5-methyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-(3-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(3-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C15H17N3O2S2 MolecularWeight: 335.44438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN=CC=C2)C

InChI

InChI=1S/C15H17N3O2S2/c1-4-11-9(2)22-13(12(11)14(19)20-3)18-15(21)17-10-6-5-7-16-8-10/h5-8H,4H2,1-3H3,(H2,17,18,21)