(2,3,6-trimethylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (2,3,6-trimethylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (2,3,6-trimethylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (2,3,6-trimethylphenyl) ester Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO2S/c1-12-8-9-13(2)19(14(12)3)22-18(21)11-10-17-20-15-6-4-5-7-16(15)23-17/h4-11H,1-3H3/b11-10+