[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C23H22FNO4S MolecularWeight: 427.488483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)COC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)COC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22FNO4S/c1-28-19-9-8-15(24)12-16(19)18(26)14-29-22(27)23(10-4-5-11-23)13-21-25-17-6-2-3-7-20(17)30-21/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3