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

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-thiophen-3-ylethanoate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C16H16BrNO3S2 MolecularWeight: 414.33714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)COC(=O)CC2=CSC=C2)Br

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)COC(=O)CC2=CSC=C2)Br

InChI

InChI=1S/C16H16BrNO3S2/c17-13-1-3-14(4-2-13)23-8-6-18-15(19)10-21-16(20)9-12-5-7-22-11-12/h1-5,7,11H,6,8-10H2,(H,18,19)