[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-11(17(22)20-14-5-3-2-4-12(14)10-19)23-16(21)9-7-13-6-8-15(18)24-13/h2-9,11H,1H3,(H,20,22)/b9-7+/t11-/m1/s1