[(2R)-1-methoxypropan-2-yl] (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: [(2R)-1-methoxypropan-2-yl] (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: [(1R)-2-methoxy-1-methyl-ethyl] (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(3-bromophenyl)-4-thiazolyl]-2-cyano-2-propenoic acid [(2R)-1-methoxypropan-2-yl] ester IUPAC Name: [(2R)-1-methoxypropan-2-yl] (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-cyano-acrylic acid [(1R)-2-methoxy-1-methyl-ethyl] ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC(=O)C(=CC1=CSC(=N1)C2=CC(=CC=C2)Br)C#N

Isomeric SMILES

C[C@H](COC)OC(=O)/C(=C/C1=CSC(=N1)C2=CC(=CC=C2)Br)/C#N

InChI

InChI=1S/C17H15BrN2O3S/c1-11(9-22-2)23-17(21)13(8-19)7-15-10-24-16(20-15)12-4-3-5-14(18)6-12/h3-7,10-11H,9H2,1-2H3/b13-7+/t11-/m1/s1