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

Systemtic Name: methyl 4-ethyl-5-methyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-(4-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(4-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NC=C2)C

InChI

InChI=1S/C16H19N3O2S2/c1-4-12-10(2)23-14(13(12)15(20)21-3)19-16(22)18-9-11-5-7-17-8-6-11/h5-8H,4,9H2,1-3H3,(H2,18,19,22)