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

Systemtic Name: ethyl 2-(phenethylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Openeye Name: ethyl 2-(phenethylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate CAS Name: 2-[[(phenethylamino)-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenethylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Traditional Name: 2-(phenethylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester Formula: C19H22N2O2S3 MolecularWeight: 406.58518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCSC2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCSC2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2S3/c1-2-23-18(22)16-14-9-11-25-12-15(14)26-17(16)21-19(24)20-10-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,21,24)