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

Systemtic Name: methyl 2-methyl-3-oxidanylidene-2-[[4-(prop-2-enoylamino)phenyl]sulfonyloxymethyl]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-methyl-3-oxo-2-[[4-(prop-2-enoylamino)phenyl]sulfonyloxymethyl]butanoate Traditional Name: 2-[(4-acrylamidophenyl)sulfonyloxymethyl]-3-keto-2-methyl-butyric acid methyl ester Formula: C16H19NO7S MolecularWeight: 369.38956

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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)OC

Isomeric SMILES

CC(=O)C(C)(COS(=O)(=O)C1=CC=C(C=C1)NC(=O)C=C)C(=O)OC

InChI

InChI=1S/C16H19NO7S/c1-5-14(19)17-12-6-8-13(9-7-12)25(21,22)24-10-16(3,11(2)18)15(20)23-4/h5-9H,1,10H2,2-4H3,(H,17,19)