6-methyl-2-(2-thiophen-2-ylethanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 6-methyl-2-(2-thiophen-2-ylethanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-methyl-2-[[2-(2-thienyl)acetyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-methyl-2-[(2-thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-methyl-2-[[2-(2-thienyl)acetyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CC3=CC=CS3

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CC3=CC=CS3

InChI

InChI=1S/C15H16N2O3S2/c1-17-5-4-10-11(8-17)22-14(13(10)15(19)20)16-12(18)7-9-3-2-6-21-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,18)(H,19,20)