ethyl 5,5,6-trimethyl-2-(phenylcarbamoylamino)-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 5,5,6-trimethyl-2-(phenylcarbamoylamino)-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 5,5,6-trimethyl-2-(phenylcarbamoylamino)-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[anilino(oxo)methyl]amino]-5,5,6-trimethyl-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5,6-trimethyl-2-(phenylcarbamoylamino)-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 5,5,6-trimethyl-2-(phenylcarbamoylamino)-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC([NH+](C2)C)(C)C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC([NH+](C2)C)(C)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-5-26-18(24)16-14-11-20(2,3)23(4)12-15(14)27-17(16)22-19(25)21-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3,(H2,21,22,25)/p+1