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

Systemtic Name: ethyl 5,5-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C18H27N2O4S+ MolecularWeight: 367.48298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-4-23-17(22)15-12-9-18(2,3)24-11-13(12)25-16(15)19-14(21)10-20-7-5-6-8-20/h4-11H2,1-3H3,(H,19,21)/p+1