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

Systemtic Name: ethyl 5-[[5-(3-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[5-(3-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[[5-(3-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-(3-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-(3-chlorophenyl)-2-furoyl]thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H16ClN3O4S2 MolecularWeight: 473.95244

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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=CC(=CC=C3)Cl)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O4S2/c1-3-28-20(27)17-11(2)14(10-23)19(31-17)25-21(30)24-18(26)16-8-7-15(29-16)12-5-4-6-13(22)9-12/h4-9H,3H2,1-2H3,(H2,24,25,26,30)