[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C18H18BrNO5S MolecularWeight: 440.30822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO5S/c1-11(21)20-8-7-13-4-6-17(26-13)15(22)10-25-18(23)12-3-5-16(24-2)14(19)9-12/h3-6,9H,7-8,10H2,1-2H3,(H,20,21)