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

Systemtic Name: methyl 5-ethyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(4-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(4-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C15H17N3O2S2 MolecularWeight: 335.44438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC=NC=C2)C(=O)OC

InChI

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