7-methoxy-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzothiazepine

Systemtic Name: 7-methoxy-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzothiazepine Openeye Name: 7-methoxy-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzothiazepine CAS Name: 7-methoxy-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzothiazepine IUPAC Name: 7-methoxy-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzothiazepine Traditional Name: 4-mesyl-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine Formula: C11H15NO3S2 MolecularWeight: 273.3717

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C11H15NO3S2/c1-15-10-3-4-11-9(7-10)8-12(5-6-16-11)17(2,13)14/h3-4,7H,5-6,8H2,1-2H3