[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C=CC2=CSC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C17H14N2O3S/c1-12(22-16(20)6-5-13-7-8-23-11-13)17(21)19-15-4-2-3-14(9-15)10-18/h2-9,11-12H,1H3,(H,19,21)/b6-5+/t12-/m1/s1