ethyl 5-phenyl-2-(pyridin-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(pyridin-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(2-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(2-pyridinylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(pyridin-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(2-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CC=N3

InChI

InChI=1S/C20H19N3O2S2/c1-2-25-19(24)16-12-17(14-8-4-3-5-9-14)27-18(16)23-20(26)22-13-15-10-6-7-11-21-15/h3-12H,2,13H2,1H3,(H2,22,23,26)