(E)-3-(1,3-benzothiazol-2-yl)-4-(5-methylfuran-2-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methylfuran-2-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methyl-2-furyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methyl-2-furanyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methylfuran-2-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-methyl-2-furyl)but-3-enoic acid Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(O1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO3S/c1-10-6-7-12(20-10)8-11(9-15(18)19)16-17-13-4-2-3-5-14(13)21-16/h2-8H,9H2,1H3,(H,18,19)/b11-8+