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

Systemtic Name: ethyl 6-methyl-2-(phenylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S2/c1-3-25-18(24)15-13-9-10-22(2)11-14(13)27-17(15)21-19(26)20-16(23)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,20,21,23,26)/p+1