[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-azanylbenzoate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-azanylbenzoate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br)N

InChI

InChI=1S/C17H17BrN2O3S/c18-13-3-7-15(8-4-13)24-10-9-20-16(21)11-23-17(22)12-1-5-14(19)6-2-12/h1-8H,9-11,19H2,(H,20,21)