ethyl 5,5-dimethyl-2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 5,5-dimethyl-2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C19H29N2O4S+ MolecularWeight: 381.50956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CC[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CC[NH+]3CCCC3

InChI

InChI=1S/C19H28N2O4S/c1-4-24-18(23)16-13-11-19(2,3)25-12-14(13)26-17(16)20-15(22)7-10-21-8-5-6-9-21/h4-12H2,1-3H3,(H,20,22)/p+1