[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=CC(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C/C(=O)OCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C17H16BrNO3S/c18-14-4-1-3-13(11-14)6-7-17(21)22-12-16(20)19-9-8-15-5-2-10-23-15/h1-7,10-11H,8-9,12H2,(H,19,20)/b7-6+