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

Systemtic Name: 5-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(3-cyano-5-methyl-4-phenyl-2-thiophenyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]-5-keto-valeric acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCC(=O)O)C#N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCC(=O)O)C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H16N2O3S/c1-11-16(12-6-3-2-4-7-12)13(10-18)17(23-11)19-14(20)8-5-9-15(21)22/h2-4,6-7H,5,8-9H2,1H3,(H,19,20)(H,21,22)