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

Systemtic Name: ethyl 4-cyano-5-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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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(=C(C=C3)C)C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S2/c1-5-29-22(28)19-14(4)16(11-24)21(32-19)26-23(31)25-20(27)18-9-8-17(30-18)15-7-6-12(2)13(3)10-15/h6-10H,5H2,1-4H3,(H2,25,26,27,31)