phenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-methoxy-2-methylsulfanyl-benzenesulfonate

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-methoxy-2-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 3-(1-formamido-3-oxo-propyl)-6-methoxy-2-methylsulfanyl-benzenesulfonate CAS Name: 3-(1-formamido-3-oxopropyl)-6-methoxy-2-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(1-formamido-3-oxopropyl)-6-methoxy-2-methylsulfanylbenzenesulfonate Traditional Name: 3-(1-formamido-3-keto-propyl)-6-methoxy-2-(methylthio)benzenesulfonic acid phenyl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(CC=O)NC=O)SC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=C(C=C1)C(CC=O)NC=O)SC)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H19NO6S2/c1-24-16-9-8-14(15(10-11-20)19-12-21)17(26-2)18(16)27(22,23)25-13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3,(H,19,21)