5-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]amino]-5-keto-valeric acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCCC(=O)O)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCCC(=O)O)C#N)C

InChI

InChI=1S/C16H21N3O4S/c1-4-19(5-2)16(23)14-10(3)11(9-17)15(24-14)18-12(20)7-6-8-13(21)22/h4-8H2,1-3H3,(H,18,20)(H,21,22)