2-[[6-(cinnolin-4-ylcarbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-(cinnolin-4-ylcarbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-(cinnoline-4-carbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[4-cinnolinyl(oxo)methyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-(cinnoline-4-carbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-(cinnoline-4-carbonylamino)-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=NC4=CC=CC=C43

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=NC4=CC=CC=C43

InChI

InChI=1S/C20H16N4O3S2/c1-12(25)27-8-9-28-20-23-17-7-6-13(10-18(17)29-20)22-19(26)15-11-21-24-16-5-3-2-4-14(15)16/h2-7,10-11H,8-9H2,1H3,(H,22,26)