2-[2-[4-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(3-fluoro-4-methoxy-benzoyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(3-fluoro-4-methoxy-benzoyl)piperazino]-2-keto-ethyl]thio]acetic acid Formula: C16H19FN2O5S MolecularWeight: 370.395863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSCC(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSCC(=O)O)F

InChI

InChI=1S/C16H19FN2O5S/c1-24-13-3-2-11(8-12(13)17)16(23)19-6-4-18(5-7-19)14(20)9-25-10-15(21)22/h2-3,8H,4-7,9-10H2,1H3,(H,21,22)