(E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxy-3-oxidanyl-phenyl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-methoxy-3-oxidanyl-phenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-hydroxy-4-methoxy-phenyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-hydroxy-4-methoxyphenyl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-hydroxy-4-methoxyphenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-hydroxy-4-methoxy-phenyl)hex-5-enoate Formula: C20H18NO4S- MolecularWeight: 368.42622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\CCCC(=O)[O-])/C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C20H19NO4S/c1-25-17-10-9-13(12-16(17)22)11-14(5-4-8-19(23)24)20-21-15-6-2-3-7-18(15)26-20/h2-3,6-7,9-12,22H,4-5,8H2,1H3,(H,23,24)/p-1/b14-11+