6-azanyl-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylic acid

Systemtic Name: 6-azanyl-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylic acid Openeye Name: 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylic acid CAS Name: 6-amino-5-cyano-2-methyl-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid IUPAC Name: 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylic acid Traditional Name: 6-amino-5-cyano-2-methyl-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C15H14N2O3S/c1-8-12(15(18)19)13(11(7-16)14(17)20-8)9-3-5-10(21-2)6-4-9/h3-6,13H,17H2,1-2H3,(H,18,19)