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

Systemtic Name: ethyl 5,5-dimethyl-2-(octanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(octanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-(1-oxooctylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-(octanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-(caprylylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC

InChI

InChI=1S/C20H31NO4S/c1-5-7-8-9-10-11-16(22)21-18-17(19(23)24-6-2)14-12-20(3,4)25-13-15(14)26-18/h5-13H2,1-4H3,(H,21,22)