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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 2,3-dihydro-1-benzothiophene-2-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 2,3-dihydrobenzothiophene-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3CC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3CC4=CC=CC=C4S3

InChI

InChI=1S/C20H21NO5S2/c22-20(19-13-16-5-1-2-7-18(16)27-19)26-14-15-4-3-6-17(12-15)28(23,24)21-8-10-25-11-9-21/h1-7,12,19H,8-11,13-14H2