1,3-benzothiazol-2-ylmethyl (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(4-isobutoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C=CC(=O)OCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C22H23NO4S/c1-15(2)13-26-18-10-8-16(12-19(18)25-3)9-11-22(24)27-14-21-23-17-6-4-5-7-20(17)28-21/h4-12,15H,13-14H2,1-3H3/b11-9+