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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)SC

Isomeric SMILES

COC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)SC

InChI

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