(E)-3-(1,3-benzothiazol-2-yl)-4-quinoxalin-2-yl-but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-quinoxalin-2-yl-but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-quinoxalin-2-yl-but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-quinoxalinyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-quinoxalin-2-ylbut-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-quinoxalin-2-yl-but-3-enoic acid Formula: C19H13N3O2S MolecularWeight: 347.39042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H13N3O2S/c23-18(24)10-12(19-22-16-7-3-4-8-17(16)25-19)9-13-11-20-14-5-1-2-6-15(14)21-13/h1-9,11H,10H2,(H,23,24)/b12-9+