ethyl (2E,4E)-5-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)penta-2,4-dienoate

Systemtic Name: ethyl (2E,4E)-5-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)penta-2,4-dienoate CAS Name: (2E,4E)-5-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)penta-2,4-dienoate Traditional Name: (2E,4E)-5-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)penta-2,4-dienoic acid ethyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=CC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)/C=C/C(=C\C1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H19NO3S/c1-3-25-21(23)13-10-16(15-8-11-17(24-2)12-9-15)14-20-22-18-6-4-5-7-19(18)26-20/h4-14H,3H2,1-2H3/b13-10+,16-14+