[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: [2-oxo-2-(5-quinolylamino)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-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)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-(5-quinolylamino)ethyl] ester Formula: C21H19N4O3S+ MolecularWeight: 407.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4)N)C

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4)N)C

InChI

InChI=1S/C21H18N4O3S/c1-11-9-12(2)24-20-17(11)18(22)19(29-20)21(27)28-10-16(26)25-15-7-3-6-14-13(15)5-4-8-23-14/h3-9H,10,22H2,1-2H3,(H,25,26)/p+1