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

Systemtic Name: methyl 4-cyano-5-[[5-(3,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[[5-(3,4-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[5-(3,4-dichlorophenyl)-2-furoyl]thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C20H13Cl2N3O4S2 MolecularWeight: 494.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C20H13Cl2N3O4S2/c1-9-11(8-23)18(31-16(9)19(27)28-2)25-20(30)24-17(26)15-6-5-14(29-15)10-3-4-12(21)13(22)7-10/h3-7H,1-2H3,(H2,24,25,26,30)