ethyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S2/c1-4-26-19(25)17-12(2)13(3)29-18(17)23-20(28)22-16(24)6-5-11-27-15-9-7-14(21)8-10-15/h7-10H,4-6,11H2,1-3H3,(H2,22,23,24,28)