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

Systemtic Name: ethyl 5-methyl-2-(pentanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(pentanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(pentanoylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(valerylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H24N2O3S2/c1-4-6-12-15(23)21-20(26)22-18-17(19(24)25-5-2)16(13(3)27-18)14-10-8-7-9-11-14/h7-11H,4-6,12H2,1-3H3,(H2,21,22,23,26)