(E)-5-(1,3-benzothiazol-2-yl)-6-(4-morpholin-4-ylphenyl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-morpholin-4-ylphenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-morpholinophenyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-[4-(4-morpholinyl)phenyl]-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-morpholin-4-ylphenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-morpholinophenyl)hex-5-enoate Formula: C23H23N2O3S- MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=C(CCCC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=C(\CCCC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O3S/c26-22(27)7-3-4-18(23-24-20-5-1-2-6-21(20)29-23)16-17-8-10-19(11-9-17)25-12-14-28-15-13-25/h1-2,5-6,8-11,16H,3-4,7,12-15H2,(H,26,27)/p-1/b18-16+