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

Systemtic Name: phenyl 6-ethoxy-3-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 6-ethoxy-3-(1-formamido-3-oxo-propyl)-2-methylsulfanyl-benzenesulfonate CAS Name: 6-ethoxy-3-(1-formamido-3-oxopropyl)-2-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-ethoxy-3-(1-formamido-3-oxopropyl)-2-methylsulfanylbenzenesulfonate Traditional Name: 6-ethoxy-3-(1-formamido-3-keto-propyl)-2-(methylthio)benzenesulfonic acid phenyl ester Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)SC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)SC)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C19H21NO6S2/c1-3-25-17-10-9-15(16(11-12-21)20-13-22)18(27-2)19(17)28(23,24)26-14-7-5-4-6-8-14/h4-10,12-13,16H,3,11H2,1-2H3,(H,20,22)