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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxy-phenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxy-phenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxyphenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxyphenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-methoxy-phenyl)pent-4-enoate Formula: C21H20NO4S- MolecularWeight: 382.4528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-3-26-18-13-14(8-10-17(18)25-2)12-15(9-11-20(23)24)21-22-16-6-4-5-7-19(16)27-21/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,23,24)/p-1/b15-12+