6-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]sulfonyl]chromen-2-one

Systemtic Name: 6-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]sulfonyl]chromen-2-one Openeye Name: 6-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]sulfonyl]chromen-2-one CAS Name: 6-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]sulfonyl]-1-benzopyran-2-one IUPAC Name: 6-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]sulfonyl]chromen-2-one Traditional Name: 6-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]sulfonyl]coumarin Formula: C20H16F3NO4S2 MolecularWeight: 455.47055

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=C(S1)C=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

CC1CCN(C2=C(S1)C=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C20H16F3NO4S2/c1-12-8-9-24(16-11-14(20(21,22)23)3-6-18(16)29-12)30(26,27)15-4-5-17-13(10-15)2-7-19(25)28-17/h2-7,10-12H,8-9H2,1H3