4-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-4-keto-butyric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C14H16N2O4S/c1-14(2)5-8-9(6-15)13(21-10(8)7-20-14)16-11(17)3-4-12(18)19/h3-5,7H2,1-2H3,(H,16,17)(H,18,19)