6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-thiochromene-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-thiochromene-3-carboxylic acid Openeye Name: 6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-thiochromene-3-carboxylic acid CAS Name: 6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1-benzothiopyran-3-carboxylic acid IUPAC Name: 6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxothiochromene-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-7-(3-methylpiperazino)thiochromene-3-carboxylic acid Formula: C15H14F2N2O3S MolecularWeight: 340.345066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C15H14F2N2O3S/c1-7-5-19(3-2-18-7)12-10(16)4-8-13(20)9(15(21)22)6-23-14(8)11(12)17/h4,6-7,18H,2-3,5H2,1H3,(H,21,22)