methyl 2-benzamido-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 2-benzamido-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-benzamido-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-benzamido-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-benzamido-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-benzamido-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H24N2O3S/c1-19(2)11-13-14(18(24)25-5)17(26-15(13)20(3,4)22-19)21-16(23)12-9-7-6-8-10-12/h6-10,22H,11H2,1-5H3,(H,21,23)/p+1