[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18BrNO3S2 MolecularWeight: 452.38512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C19H18BrNO3S2/c1-12(17(22)21-16-8-6-15(20)7-9-16)24-18(23)13-2-4-14(5-3-13)19-25-10-11-26-19/h2-9,12,19H,10-11H2,1H3,(H,21,22)