ethyl 4,5-dimethyl-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(4-phenoxybutanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O4S2/c1-4-25-19(24)17-13(2)14(3)28-18(17)22-20(27)21-16(23)11-8-12-26-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,21,22,23,27)