2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]acetic acid IUPAC Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-cyano-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]acetic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=N2)SCC(=O)O)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=N2)SCC(=O)O)C#N)C(=O)C1)C

InChI

InChI=1S/C14H14N2O3S/c1-14(2)4-10-9(11(17)5-14)3-8(6-15)13(16-10)20-7-12(18)19/h3H,4-5,7H2,1-2H3,(H,18,19)