[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H18FNO5S MolecularWeight: 403.424023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32)F

InChI

InChI=1S/C20H18FNO5S/c1-26-17-7-6-13(10-14(17)21)16(23)11-27-20(25)8-9-22-15-4-2-3-5-18(15)28-12-19(22)24/h2-7,10H,8-9,11-12H2,1H3