(4-ethylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (4-ethylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (4-ethylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (4-ethylphenyl) ester Formula: C18H15NO2S MolecularWeight: 309.3822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO2S/c1-2-13-7-9-14(10-8-13)21-18(20)12-11-17-19-15-5-3-4-6-16(15)22-17/h3-12H,2H2,1H3/b12-11+