[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OCC(=O)NCCOC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OCC(=O)NCCOC3=CC=CC=C3)N)C

InChI

InChI=1S/C20H21N3O4S/c1-12-10-13(2)23-19-16(12)17(21)18(28-19)20(25)27-11-15(24)22-8-9-26-14-6-4-3-5-7-14/h3-7,10H,8-9,11,21H2,1-2H3,(H,22,24)/p+1