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

Systemtic Name: ethyl 2-(furan-2-ylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2-furylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(furan-2-ylmethylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2-furfurylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C19H18N2O3S2/c1-2-23-18(22)15-11-16(13-7-4-3-5-8-13)26-17(15)21-19(25)20-12-14-9-6-10-24-14/h3-11H,2,12H2,1H3,(H2,20,21,25)