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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-methylphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(o-tolyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-methylphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-methylphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(o-tolyl)but-3-enoic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO2S/c1-12-6-2-3-7-13(12)10-14(11-17(20)21)18-19-15-8-4-5-9-16(15)22-18/h2-10H,11H2,1H3,(H,20,21)/b14-10+