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

Systemtic Name: methyl 5-[2-[2,4-bis(chloranyl)phenoxy]propanoylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H15Cl2N3O4S2 MolecularWeight: 472.3654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C18H15Cl2N3O4S2/c1-8-11(7-21)16(29-14(8)17(25)26-3)23-18(28)22-15(24)9(2)27-13-5-4-10(19)6-12(13)20/h4-6,9H,1-3H3,(H2,22,23,24,28)