ethyl 5-(dimethylamino)-2-(phenylsulfonyl)-1,3-dithiane-2-carboxylate

Systemtic Name: ethyl 5-(dimethylamino)-2-(phenylsulfonyl)-1,3-dithiane-2-carboxylate Openeye Name: ethyl 2-(benzenesulfonyl)-5-(dimethylamino)-1,3-dithiane-2-carboxylate CAS Name: 2-(benzenesulfonyl)-5-(dimethylamino)-1,3-dithiane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonyl)-5-(dimethylamino)-1,3-dithiane-2-carboxylate Traditional Name: 2-besyl-5-(dimethylamino)-1,3-dithiane-2-carboxylic acid ethyl ester Formula: C15H21NO4S3 MolecularWeight: 375.52654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(SCC(CS1)N(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(SCC(CS1)N(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO4S3/c1-4-20-14(17)15(21-10-12(11-22-15)16(2)3)23(18,19)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3