methyl 5-methyl-2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(1-tetrahydrofuran-2-ylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[1-(2-oxolanyl)ethylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[1-(tetrahydrofuryl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC(C)C2CCCO2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC(C)C2CCCO2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-12(15-10-7-11-25-15)21-20(26)22-18-17(19(23)24-3)16(13(2)27-18)14-8-5-4-6-9-14/h4-6,8-9,12,15H,7,10-11H2,1-3H3,(H2,21,22,26)