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

Systemtic Name: methyl 2-[[6-(cinnolin-4-ylcarbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-(cinnoline-4-carbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[4-cinnolinyl(oxo)methyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(cinnoline-4-carbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(cinnoline-4-carbonylamino)-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C19H14N4O3S2 MolecularWeight: 410.46946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=NC4=CC=CC=C43

InChI

InChI=1S/C19H14N4O3S2/c1-26-17(24)10-27-19-22-15-7-6-11(8-16(15)28-19)21-18(25)13-9-20-23-14-5-3-2-4-12(13)14/h2-9H,10H2,1H3,(H,21,25)