6-ethyl-2-[(4-phenoxyphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-ethyl-2-[(4-phenoxyphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-ethyl-2-[(4-phenoxybenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-ethyl-2-[[oxo-(4-phenoxyphenyl)methyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-ethyl-2-[(4-phenoxybenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-ethyl-2-[(4-phenoxybenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C23H24N3O3S+ MolecularWeight: 422.51996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-2-26-13-12-18-19(14-26)30-23(20(18)21(24)27)25-22(28)15-8-10-17(11-9-15)29-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H2,24,27)(H,25,28)/p+1