methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-3,1-benzothiazine-7-carboxylate

Systemtic Name: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-3,1-benzothiazine-7-carboxylate Openeye Name: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-3,1-benzothiazine-7-carboxylate CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxo-3,1-benzothiazine-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-3,1-benzothiazine-7-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-4-keto-3,1-benzothiazine-7-carboxylic acid methyl ester Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)SC(=N2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)SC(=N2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O3S/c1-27-18(25)13-2-7-16-17(12-13)22-20(28-19(16)26)24-10-8-23(9-11-24)15-5-3-14(21)4-6-15/h2-7,12H,8-11H2,1H3