ethyl 4-cyano-5-[[5-(2,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[[5-(2,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[[5-(2,4-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[5-(2,4-dichlorophenyl)-2-furoyl]thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H15Cl2N3O4S2 MolecularWeight: 508.3975

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C#N)C

InChI

InChI=1S/C21H15Cl2N3O4S2/c1-3-29-20(28)17-10(2)13(9-24)19(32-17)26-21(31)25-18(27)16-7-6-15(30-16)12-5-4-11(22)8-14(12)23/h4-8H,3H2,1-2H3,(H2,25,26,27,31)