[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OCC(=O)NCCC2=CC=CS2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)NCCC2=CC=CS2)Br

InChI

InChI=1S/C18H18BrNO3S/c1-13-4-5-14(16(19)11-13)6-7-18(22)23-12-17(21)20-9-8-15-3-2-10-24-15/h2-7,10-11H,8-9,12H2,1H3,(H,20,21)/b7-6+