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

Systemtic Name: ethyl 6-methyl-2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C15H22N3O2S2+ MolecularWeight: 340.48408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S2/c1-4-7-16-15(21)17-13-12(14(19)20-5-2)10-6-8-18(3)9-11(10)22-13/h4H,1,5-9H2,2-3H3,(H2,16,17,21)/p+1