ethyl 2-(furan-2-ylmethylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(furan-2-ylmethylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2-furylmethylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(furan-2-ylmethylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(2-furfurylthiocarbamoylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H20N2O4S2/c1-3-25-19(23)17-16(13-6-8-14(24-2)9-7-13)12-28-18(17)22-20(27)21-11-15-5-4-10-26-15/h4-10,12H,3,11H2,1-2H3,(H2,21,22,27)