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

Systemtic Name: methyl 4-cyano-5-[[5-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[5-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thienyl)amino]-5-oxo-pentanoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[5-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-1,5-dioxopentyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[[5-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)amino]-5-oxopentanoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-[(5-carbomethoxy-3-cyano-4-methyl-2-thienyl)amino]-5-keto-pentanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6S2/c1-10-12(8-22)18(32-16(10)20(28)30-3)24-14(26)6-5-7-15(27)25-19-13(9-23)11(2)17(33-19)21(29)31-4/h5-7H2,1-4H3,(H,24,26)(H,25,27)