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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO2S/c1-12-5-4-6-13(11-12)20-17(19)10-9-16-18-14-7-2-3-8-15(14)21-16/h2-11H,1H3/b10-9+