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

Systemtic Name: methyl 5,5-dimethyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: methyl 5,5-dimethyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 5,5-dimethyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)NCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)NCC[NH+]3CCOCC3)C

InChI

InChI=1S/C18H27N3O5S/c1-18(2)10-12-13(11-26-18)27-15(14(12)16(22)24-3)20-17(23)19-4-5-21-6-8-25-9-7-21/h4-11H2,1-3H3,(H2,19,20,23)/p+1