(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-morpholin-4-ylphenyl)but-3-enoate

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-morpholin-4-ylphenyl)but-3-enoate Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-morpholinophenyl)but-3-enoate CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-[4-(4-morpholinyl)phenyl]-3-butenoate IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-morpholin-4-ylphenyl)but-3-enoate Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-morpholinophenyl)but-3-enoate Formula: C21H19N2O3S- MolecularWeight: 379.45216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c24-20(25)14-16(21-22-18-3-1-2-4-19(18)27-21)13-15-5-7-17(8-6-15)23-9-11-26-12-10-23/h1-8,13H,9-12,14H2,(H,24,25)/p-1/b16-13-