phenylmethoxymethyl 2-methyl-3-oxidanylidene-2-[[4-(prop-2-enoylamino)phenyl]sulfonyloxymethyl]butanoate

Systemtic Name: phenylmethoxymethyl 2-methyl-3-oxidanylidene-2-[[4-(prop-2-enoylamino)phenyl]sulfonyloxymethyl]butanoate Openeye Name: benzyloxymethyl 2-methyl-3-oxo-2-[[4-(prop-2-enoylamino)phenyl]sulfonyloxymethyl]butanoate CAS Name: 2-methyl-3-oxo-2-[[4-(1-oxoprop-2-enylamino)phenyl]sulfonyloxymethyl]butanoic acid phenylmethoxymethyl ester IUPAC Name: phenylmethoxymethyl 2-methyl-3-oxo-2-[[4-(prop-2-enoylamino)phenyl]sulfonyloxymethyl]butanoate Traditional Name: 2-[(4-acrylamidophenyl)sulfonyloxymethyl]-3-keto-2-methyl-butyric acid benzoxymethyl ester Formula: C23H25NO8S MolecularWeight: 475.5115

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(COS(=O)(=O)C1=CC=C(C=C1)NC(=O)C=C)C(=O)OCOCC2=CC=CC=C2

Isomeric SMILES

CC(=O)C(C)(COS(=O)(=O)C1=CC=C(C=C1)NC(=O)C=C)C(=O)OCOCC2=CC=CC=C2

InChI

InChI=1S/C23H25NO8S/c1-4-21(26)24-19-10-12-20(13-11-19)33(28,29)32-15-23(3,17(2)25)22(27)31-16-30-14-18-8-6-5-7-9-18/h4-13H,1,14-16H2,2-3H3,(H,24,26)