2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylphenyl)ethenyl]sulfanylethanoate

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylphenyl)ethenyl]sulfanylethanoate Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-morpholinophenyl)vinyl]sulfanylacetate CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-[4-(4-morpholinyl)phenyl]ethenyl]thio]acetate IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylphenyl)ethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-morpholinophenyl)vinyl]thio]acetate Formula: C21H19N2O3S2- MolecularWeight: 411.51716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S2/c24-20(25)14-27-19(21-22-17-3-1-2-4-18(17)28-21)13-15-5-7-16(8-6-15)23-9-11-26-12-10-23/h1-8,13H,9-12,14H2,(H,24,25)/p-1/b19-13-