ethyl 4-(furan-2-yl)-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-(3-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-(3-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H17N3O3S2/c1-2-23-17(22)15-13(14-6-4-8-24-14)11-26-16(15)21-18(25)20-10-12-5-3-7-19-9-12/h3-9,11H,2,10H2,1H3,(H2,20,21,25)