ethyl 5-[2-[2,4-bis(chloranyl)phenoxy]propanoylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[2,4-bis(chloranyl)phenoxy]propanoylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[2-(2,4-dichlorophenoxy)propanoylthiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H17Cl2N3O4S2 MolecularWeight: 486.39198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C#N)C

InChI

InChI=1S/C19H17Cl2N3O4S2/c1-4-27-18(26)15-9(2)12(8-22)17(30-15)24-19(29)23-16(25)10(3)28-14-6-5-11(20)7-13(14)21/h5-7,10H,4H2,1-3H3,(H2,23,24,25,29)