(E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethyl-3-nitro-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethyl-3-nitro-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethyl-3-nitro-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethyl-3-nitrophenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethyl-3-nitrophenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethyl-3-nitro-phenyl)but-3-enoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4S/c1-2-13-8-7-12(10-16(13)21(24)25)9-14(11-18(22)23)19-20-15-5-3-4-6-17(15)26-19/h3-10H,2,11H2,1H3,(H,22,23)/b14-9+