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

Systemtic Name: ethyl 5,5-dimethyl-2-(piperazin-4-ium-1-ylcarbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(piperazin-4-ium-1-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[oxo(1-piperazin-4-iumyl)methyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-(piperazin-4-ium-1-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(piperazin-4-ium-1-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O4S/c1-4-23-15(21)13-11-9-17(2,3)24-10-12(11)25-14(13)19-16(22)20-7-5-18-6-8-20/h18H,4-10H2,1-3H3,(H,19,22)/p+1