ethyl 4-azanyl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-azanyl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 4-amino-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-1-ium-3-carboxylate CAS Name: 4-amino-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-1-ium-3-carboxylate Traditional Name: 4-amino-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C15H19N2O2S+ MolecularWeight: 291.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C2C(=C1N)C3=C(S2)CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C2C(=C1N)C3=C(S2)CCCC3)C

InChI

InChI=1S/C15H18N2O2S/c1-3-19-15(18)11-8(2)17-14-12(13(11)16)9-6-4-5-7-10(9)20-14/h3-7H2,1-2H3,(H2,16,17)/p+1