ethyl 2-benzamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-benzamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-benzamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-benzamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-benzamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3S/c1-2-29-24(28)21-19-13-14-26(15-17-9-5-3-6-10-17)16-20(19)30-23(21)25-22(27)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,25,27)/p+1