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

Systemtic Name: ethyl 6-ethyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 6-ethyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(phenylthiocarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C19H24N3O2S2+ MolecularWeight: 390.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S2/c1-3-22-11-10-14-15(12-22)26-17(16(14)18(23)24-4-2)21-19(25)20-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H2,20,21,25)/p+1