7-(3,5-dimethylpiperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-thiochromene-3-carboxylic acid

Systemtic Name: 7-(3,5-dimethylpiperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-thiochromene-3-carboxylic acid Openeye Name: 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-thiochromene-3-carboxylic acid CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-4-oxo-1-benzothiopyran-3-carboxylic acid IUPAC Name: 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxothiochromene-3-carboxylic acid Traditional Name: 7-(3,5-dimethylpiperazino)-6,8-difluoro-4-keto-thiochromene-3-carboxylic acid Formula: C16H16F2N2O3S MolecularWeight: 354.371646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C3C(=C2F)SC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C16H16F2N2O3S/c1-7-4-20(5-8(2)19-7)13-11(17)3-9-14(21)10(16(22)23)6-24-15(9)12(13)18/h3,6-8,19H,4-5H2,1-2H3,(H,22,23)