ethyl 3-[3-azanyl-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[3-azanyl-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-3-oxo-propanoate CAS Name: 3-[3-amino-4-(dimethylamino)-2-thieno[2,3-b]pyridin-7-iumyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-3-oxopropanoate Traditional Name: 3-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-3-keto-propionic acid ethyl ester Formula: C14H18N3O3S+ MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=C(C2=C(C=C[NH+]=C2S1)N(C)C)N

Isomeric SMILES

CCOC(=O)CC(=O)C1=C(C2=C(C=C[NH+]=C2S1)N(C)C)N

InChI

InChI=1S/C14H17N3O3S/c1-4-20-10(19)7-9(18)13-12(15)11-8(17(2)3)5-6-16-14(11)21-13/h5-6H,4,7,15H2,1-3H3/p+1