2-[[6-[(6-morpholin-4-ylpyrazin-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(6-morpholin-4-ylpyrazin-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(6-morpholinopyrazine-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[[6-(4-morpholinyl)-2-pyrazinyl]-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(6-morpholin-4-ylpyrazine-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(6-morpholinopyrazinoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC(=N3)N4CCOCC4

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC(=N3)N4CCOCC4

InChI

InChI=1S/C20H21N5O4S2/c1-13(26)29-8-9-30-20-24-15-3-2-14(10-17(15)31-20)22-19(27)16-11-21-12-18(23-16)25-4-6-28-7-5-25/h2-3,10-12H,4-9H2,1H3,(H,22,27)