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

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-8-(4-fluoranylphenoxy)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-8-(4-fluorophenoxy)-3-hydroxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-(3-fluoro-4-methoxyphenyl)-8-(4-fluorophenoxy)-3-hydroxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-8-(4-fluorophenoxy)-3-hydroxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-8-(4-fluorophenoxy)-3-hydroxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H17F2NO4S MolecularWeight: 429.436486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F2NO4S/c1-28-18-9-2-12(10-16(18)24)21-20(26)22(27)25-17-8-7-15(11-19(17)30-21)29-14-5-3-13(23)4-6-14/h2-11,20-21,26H,1H3,(H,25,27)