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

Systemtic Name: ethyl 7-(3,5-dimethylpiperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-thiochromene-3-carboxylate Openeye Name: ethyl 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-thiochromene-3-carboxylate CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-4-oxo-1-benzothiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxothiochromene-3-carboxylate Traditional Name: 7-(3,5-dimethylpiperazino)-6,8-difluoro-4-keto-thiochromene-3-carboxylic acid ethyl ester Formula: C18H20F2N2O3S MolecularWeight: 382.424806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC2=C(C(=C(C=C2C1=O)F)N3CC(NC(C3)C)C)F

Isomeric SMILES

CCOC(=O)C1=CSC2=C(C(=C(C=C2C1=O)F)N3CC(NC(C3)C)C)F

InChI

InChI=1S/C18H20F2N2O3S/c1-4-25-18(24)12-8-26-17-11(16(12)23)5-13(19)15(14(17)20)22-6-9(2)21-10(3)7-22/h5,8-10,21H,4,6-7H2,1-3H3