ethyl 2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

Systemtic Name: ethyl 2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Openeye Name: ethyl 2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate CAS Name: 2-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester Formula: C17H26N3O3S3+ MolecularWeight: 416.60164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCSC2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCSC2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H25N3O3S3/c1-2-23-16(21)14-12-3-10-25-11-13(12)26-15(14)19-17(24)18-4-5-20-6-8-22-9-7-20/h2-11H2,1H3,(H2,18,19,24)/p+1