ethyl 2-[(2,3-dimethoxyphenyl)methylideneamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-[(2,3-dimethoxyphenyl)methylideneamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-[(2,3-dimethoxyphenyl)methyleneamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[(2,3-dimethoxyphenyl)methylideneamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,3-dimethoxyphenyl)methylideneamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-[(2,3-dimethoxybenzylidene)amino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)N=CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)N=CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-5-23-11-10-15-17(13-23)28-20(18(15)21(24)27-6-2)22-12-14-8-7-9-16(25-3)19(14)26-4/h7-9,12H,5-6,10-11,13H2,1-4H3/p+1