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

Systemtic Name: 4-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]amino]-4-keto-butyric acid Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4S/c1-4-18(5-2)15(22)13-9(3)10(8-16)14(23-13)17-11(19)6-7-12(20)21/h4-7H2,1-3H3,(H,17,19)(H,20,21)