phenyl 2-ethoxy-3-fluoranyl-6-(1-formamido-3-oxidanylidene-propyl)benzenesulfonate

Systemtic Name: phenyl 2-ethoxy-3-fluoranyl-6-(1-formamido-3-oxidanylidene-propyl)benzenesulfonate Openeye Name: phenyl 2-ethoxy-3-fluoro-6-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 2-ethoxy-3-fluoro-6-(1-formamido-3-oxopropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-ethoxy-3-fluoro-6-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2-ethoxy-3-fluoro-6-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C18H18FNO6S MolecularWeight: 395.402023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)F

Isomeric SMILES

CCOC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)F

InChI

InChI=1S/C18H18FNO6S/c1-2-25-17-15(19)9-8-14(16(10-11-21)20-12-22)18(17)27(23,24)26-13-6-4-3-5-7-13/h3-9,11-12,16H,2,10H2,1H3,(H,20,22)