(E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-isopentyloxy-3-methoxy-phenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-isoamoxy-3-methoxy-phenyl)pent-4-enoate Formula: C24H26NO4S- MolecularWeight: 424.53254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4S/c1-16(2)12-13-29-20-10-8-17(15-21(20)28-3)14-18(9-11-23(26)27)24-25-19-6-4-5-7-22(19)30-24/h4-8,10,14-16H,9,11-13H2,1-3H3,(H,26,27)/p-1/b18-14+