ethyl (E,1Z)-3-bromanyl-N-(4-methylphenyl)sulfonyl-4-oxidanylidene-2-(phenylmethyl)pent-2-enimidate

Systemtic Name: ethyl (E,1Z)-3-bromanyl-N-(4-methylphenyl)sulfonyl-4-oxidanylidene-2-(phenylmethyl)pent-2-enimidate Openeye Name: ethyl (E,1Z)-2-benzyl-3-bromo-4-oxo-N-(p-tolylsulfonyl)pent-2-enimidate CAS Name: (E,1Z)-3-bromo-N-(4-methylphenyl)sulfonyl-4-oxo-2-(phenylmethyl)-2-pentenimidic acid ethyl ester IUPAC Name: ethyl (E,1Z)-2-benzyl-3-bromo-N-(4-methylphenyl)sulfonyl-4-oxopent-2-enimidate Traditional Name: (E,1Z)-2-benzyl-3-bromo-4-keto-N-tosyl-pent-2-enimidic acid ethyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NS(=O)(=O)C1=CC=C(C=C1)C)C(=C(C(=O)C)Br)CC2=CC=CC=C2

Isomeric SMILES

CCO/C(=N\S(=O)(=O)C1=CC=C(C=C1)C)/C(=C(\C(=O)C)/Br)/CC2=CC=CC=C2

InChI

InChI=1S/C21H22BrNO4S/c1-4-27-21(23-28(25,26)18-12-10-15(2)11-13-18)19(20(22)16(3)24)14-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3/b20-19+,23-21-