ethyl 5-methyl-2-(oxolan-2-ylmethylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-(oxolan-2-ylmethylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(tetrahydrofuran-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(oxolan-2-ylmethylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(tetrahydrofurfurylthiocarbamoylamino)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(=C1C2=CC=CC=C2)C)NC(=S)NCC3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3CCCO3

InChI

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