(E)-3-(1,3-benzothiazol-2-yl)-4-[4-(3-methylbutoxy)phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(3-methylbutoxy)phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-isopentyloxyphenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(3-methylbutoxy)phenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(3-methylbutoxy)phenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-isoamoxyphenyl)but-3-enoate Formula: C22H22NO3S- MolecularWeight: 380.47998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO3S/c1-15(2)11-12-26-18-9-7-16(8-10-18)13-17(14-21(24)25)22-23-19-5-3-4-6-20(19)27-22/h3-10,13,15H,11-12,14H2,1-2H3,(H,24,25)/p-1/b17-13+