2-[[6-[(6-pyrazol-1-ylpyridin-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(6-pyrazol-1-ylpyridin-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[oxo-[6-(1-pyrazolyl)-3-pyridinyl]methyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(6-pyrazol-1-ylnicotinoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H17N5O3S2/c1-13(26)28-9-10-29-20-24-16-5-4-15(11-17(16)30-20)23-19(27)14-3-6-18(21-12-14)25-8-2-7-22-25/h2-8,11-12H,9-10H2,1H3,(H,23,27)