dimethyl 5-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(4S)-thiochroman-4-yl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[(4S)-thiochroman-4-yl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H19NO6S2 MolecularWeight: 421.48726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2CCSC3=CC=CC=C23)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N[C@H]2CCSC3=CC=CC=C23)C(=O)OC

InChI

InChI=1S/C19H19NO6S2/c1-25-18(21)12-9-13(19(22)26-2)11-14(10-12)28(23,24)20-16-7-8-27-17-6-4-3-5-15(16)17/h3-6,9-11,16,20H,7-8H2,1-2H3/t16-/m0/s1