methyl 5,5-dimethyl-2-[(2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanoyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: methyl 5,5-dimethyl-2-[(2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanoyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: methyl 5,5-dimethyl-2-[(2-oxo-2-piperazin-4-ium-1-yl-acetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[1,2-dioxo-2-(1-piperazin-4-iumyl)ethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 5,5-dimethyl-2-[(2-oxo-2-piperazin-4-ium-1-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-[(2-keto-2-piperazin-4-ium-1-yl-acetyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester Formula: C17H24N3O5S+ MolecularWeight: 382.45456

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)C(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C(=O)OC)NC(=O)C(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C17H23N3O5S/c1-17(2)8-10-11(9-25-17)26-14(12(10)16(23)24-3)19-13(21)15(22)20-6-4-18-5-7-20/h18H,4-9H2,1-3H3,(H,19,21)/p+1