[(1R)-1-(1,3-benzothiazol-2-yl)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] ester Formula: C18H14N2O4S MolecularWeight: 354.37976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)OC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)OC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4S/c1-12(18-19-15-4-2-3-5-16(15)25-18)24-17(21)11-8-13-6-9-14(10-7-13)20(22)23/h2-12H,1H3/b11-8+/t12-/m1/s1