ethyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylate

Systemtic Name: ethyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylate Openeye Name: ethyl 4-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-3-keto-1,4-benzothiazine-6-carboxylic acid ethyl ester Formula: C18H15ClFNO3S MolecularWeight: 379.833003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H15ClFNO3S/c1-2-24-18(23)11-6-7-16-15(8-11)21(17(22)10-25-16)9-12-13(19)4-3-5-14(12)20/h3-8H,2,9-10H2,1H3