ethyl 2-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N3O3S2+ MolecularWeight: 452.56908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)[NH+]=C(C=C4C)C)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)[NH+]=C(C=C4C)C)N

InChI

InChI=1S/C23H21N3O3S2/c1-4-29-23(28)17-15(14-8-6-5-7-9-14)11-30-21(17)26-20(27)19-18(24)16-12(2)10-13(3)25-22(16)31-19/h5-11H,4,24H2,1-3H3,(H,26,27)/p+1