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

Systemtic Name: methyl 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-butanoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-1,4-dioxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobutanoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[4-[(5-carbomethoxy-3-cyano-4-methyl-2-thienyl)amino]-4-keto-butanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C20H18N4O6S2 MolecularWeight: 474.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C(=O)OC

InChI

InChI=1S/C20H18N4O6S2/c1-9-11(7-21)17(31-15(9)19(27)29-3)23-13(25)5-6-14(26)24-18-12(8-22)10(2)16(32-18)20(28)30-4/h5-6H2,1-4H3,(H,23,25)(H,24,26)