2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-4H-1,4-benzothiazin-3-one CAS Name: 2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-keto-ethyl]-4H-1,4-benzothiazin-3-one Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4S3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4S3)F

InChI

InChI=1S/C22H24FN3O3S/c1-29-18-7-6-15(12-16(18)23)14-25-8-10-26(11-9-25)21(27)13-20-22(28)24-17-4-2-3-5-19(17)30-20/h2-7,12,20H,8-11,13-14H2,1H3,(H,24,28)