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

Systemtic Name: ethyl 6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-methyl-2-(phenylthiocarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S2/c1-3-23-17(22)15-13-9-10-21(2)11-14(13)25-16(15)20-18(24)19-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,19,20,24)/p+1