(3-chloranyl-1-benzothiophen-2-yl)methyl 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C19H19ClN2O5S2 MolecularWeight: 454.94756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H19ClN2O5S2/c1-21-11-13(29(24,25)22-6-8-26-9-7-22)10-15(21)19(23)27-12-17-18(20)14-4-2-3-5-16(14)28-17/h2-5,10-11H,6-9,12H2,1H3