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

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-3-oxidanyl-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O3S/c1-25(2)10-11-26-16-12-14(21(22,23)24)6-9-17(16)30-19(18(27)20(26)28)13-4-7-15(29-3)8-5-13/h4-9,12,18-19,27H,10-11H2,1-3H3