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

Systemtic Name: ethyl 5,5,6-trimethyl-2-(phenylcarbonylcarbamothioylamino)-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-5,5,6-trimethyl-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)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 2-(benzoylcarbamothioylamino)-5,5,6-trimethyl-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-5,5,6-trimethyl-6,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C21H26N3O3S2+ MolecularWeight: 432.57944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-5-27-19(26)16-14-11-21(2,3)24(4)12-15(14)29-18(16)23-20(28)22-17(25)13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3,(H2,22,23,25,28)/p+1