(3-morpholin-4-ylsulfonylphenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H18ClNO5S2 MolecularWeight: 451.94362

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClNO5S2/c21-18-16-6-1-2-7-17(16)28-19(18)20(23)27-13-14-4-3-5-15(12-14)29(24,25)22-8-10-26-11-9-22/h1-7,12H,8-11,13H2