ethyl 5,5-dimethyl-2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 5,5-dimethyl-2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-[(2-hydroxy-2-phenyl-acetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxy-2-phenylacetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-(mandeloylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C(C3=CC=CC=C3)O

InChI

InChI=1S/C20H23NO5S/c1-4-25-19(24)15-13-10-20(2,3)26-11-14(13)27-18(15)21-17(23)16(22)12-8-6-5-7-9-12/h5-9,16,22H,4,10-11H2,1-3H3,(H,21,23)