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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C3CCCO3

InChI

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