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

Systemtic Name: ethyl 5,5-dimethyl-2-(4-morpholin-4-ium-4-ylbutanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(4-morpholin-4-ium-4-ylbutanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[4-(4-morpholin-4-iumyl)-1-oxobutyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-(4-morpholin-4-ium-4-ylbutanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(4-morpholin-4-ium-4-ylbutanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C20H31N2O5S+ MolecularWeight: 411.53554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H30N2O5S/c1-4-26-19(24)17-14-12-20(2,3)27-13-15(14)28-18(17)21-16(23)6-5-7-22-8-10-25-11-9-22/h4-13H2,1-3H3,(H,21,23)/p+1