ethyl 5,5-dimethyl-2-(3-phenylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 5,5-dimethyl-2-(3-phenylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(3-phenylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[(1-oxo-3-phenylpropyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-(3-phenylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-4-25-20(24)18-15-12-21(2,3)26-13-16(15)27-19(18)22-17(23)11-10-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3,(H,22,23)