[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO3S/c1-13-3-2-4-14(11-13)18(22)23-12-17(21)20-9-10-24-16-7-5-15(19)6-8-16/h2-8,11H,9-10,12H2,1H3,(H,20,21)