dimethyl 5-[[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(4S)-6-chlorothiochroman-4-yl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[(4S)-6-chlorothiochroman-4-yl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18ClNO6S2 MolecularWeight: 455.93232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2CCSC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H18ClNO6S2/c1-26-18(22)11-7-12(19(23)27-2)9-14(8-11)29(24,25)21-16-5-6-28-17-4-3-13(20)10-15(16)17/h3-4,7-10,16,21H,5-6H2,1-2H3/t16-/m0/s1