ethyl 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-butanoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-1,4-dioxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[4-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobutanoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[4-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-4-keto-butanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H22N4O6S2 MolecularWeight: 502.56328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)C#N)C

InChI

InChI=1S/C22H22N4O6S2/c1-5-31-21(29)17-11(3)13(9-23)19(33-17)25-15(27)7-8-16(28)26-20-14(10-24)12(4)18(34-20)22(30)32-6-2/h5-8H2,1-4H3,(H,25,27)(H,26,28)