5-(2-dimethylaminoethyl)-8-(4-fluoranylphenoxy)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-dimethylaminoethyl)-8-(4-fluoranylphenoxy)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-dimethylaminoethyl)-8-(4-fluorophenoxy)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-8-(4-fluorophenoxy)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-dimethylaminoethyl)-8-(4-fluorophenoxy)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-dimethylaminoethyl)-8-(4-fluorophenoxy)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H27FN2O4S MolecularWeight: 482.566983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=C(C=C3)F)SC(C(C1=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)OC3=CC=C(C=C3)F)SC(C(C1=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27FN2O4S/c1-28(2)14-15-29-22-13-12-21(33-20-10-6-18(27)7-11-20)16-23(22)34-25(24(30)26(29)31)17-4-8-19(32-3)9-5-17/h4-13,16,24-25,30H,14-15H2,1-3H3