[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C18H18BrNO4S2 MolecularWeight: 456.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO4S2/c1-12(21)20-9-8-15-6-7-17(26-15)16(22)10-24-18(23)11-25-14-4-2-13(19)3-5-14/h2-7H,8-11H2,1H3,(H,20,21)