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

Systemtic Name: 8-(4-fluoranylphenoxy)-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 8-(4-fluorophenoxy)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 8-(4-fluorophenoxy)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 8-(4-fluorophenoxy)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 8-(4-fluorophenoxy)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H18FNO4S MolecularWeight: 411.446023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OC4=CC=C(C=C4)F)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OC4=CC=C(C=C4)F)O

InChI

InChI=1S/C22H18FNO4S/c1-27-15-6-2-13(3-7-15)21-20(25)22(26)24-18-11-10-17(12-19(18)29-21)28-16-8-4-14(23)5-9-16/h2-12,20-21,25H,1H3,(H,24,26)