(E)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-bromophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-bromophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[(3-bromophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[(3-bromophenyl)methyl]-N-[(3S)-1,1-dioxo-3-thiolanyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[(3-bromophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-(3-bromobenzyl)-N-[(3S)-1,1-diketothiolan-3-yl]-3-(p-tolyl)acrylamide Formula: C21H22BrNO3S MolecularWeight: 448.37328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N(CC2=CC(=CC=C2)Br)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)N(CC2=CC(=CC=C2)Br)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C21H22BrNO3S/c1-16-5-7-17(8-6-16)9-10-21(24)23(20-11-12-27(25,26)15-20)14-18-3-2-4-19(22)13-18/h2-10,13,20H,11-12,14-15H2,1H3/b10-9+/t20-/m0/s1