methyl 3-azanyl-4,6-diphenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: methyl 3-azanyl-4,6-diphenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 3-amino-4,6-diphenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-4,6-diphenyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-4,6-diphenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C21H17N2O2S+ MolecularWeight: 361.43688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H16N2O2S/c1-25-21(24)19-18(22)17-15(13-8-4-2-5-9-13)12-16(23-20(17)26-19)14-10-6-3-7-11-14/h2-12H,22H2,1H3/p+1