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

Systemtic Name: (4-methylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: p-tolyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid p-tolyl ester Formula: C17H13NO2S MolecularWeight: 295.35562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO2S/c1-12-6-8-13(9-7-12)20-17(19)11-10-16-18-14-4-2-3-5-15(14)21-16/h2-11H,1H3/b11-10+