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

Systemtic Name: 5-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thienyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(5-carbomethoxy-3-cyano-4-methyl-2-thienyl)amino]-5-keto-valeric acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5S/c1-7-8(6-14)12(21-11(7)13(19)20-2)15-9(16)4-3-5-10(17)18/h3-5H2,1-2H3,(H,15,16)(H,17,18)