5-ethyl-2-(4-methoxyphenyl)-3-oxidanyl-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-ethyl-2-(4-methoxyphenyl)-3-oxidanyl-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C19H18F3NO3S MolecularWeight: 397.41133

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(F)(F)F)SC(C(C1=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(F)(F)F)SC(C(C1=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H18F3NO3S/c1-3-23-14-10-12(19(20,21)22)6-9-15(14)27-17(16(24)18(23)25)11-4-7-13(26-2)8-5-11/h4-10,16-17,24H,3H2,1-2H3