2-[(3S)-3-(benzotriazol-1-ylmethyl)morpholin-4-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

Systemtic Name: 2-[(3S)-3-(benzotriazol-1-ylmethyl)morpholin-4-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one Openeye Name: 2-[(3S)-3-(benzotriazol-1-ylmethyl)morpholin-4-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one CAS Name: 2-[(3S)-3-(1-benzotriazolylmethyl)-4-morpholinyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one IUPAC Name: 2-[(3S)-3-(benzotriazol-1-ylmethyl)morpholin-4-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one Traditional Name: 2-[(3S)-3-(benzotriazol-1-ylmethyl)morpholino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)N3CCOCC3CN4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)N3CCOC[C@@H]3CN4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C20H23N5O2S/c1-20(2)9-15-18(17(26)10-20)28-19(21-15)24-7-8-27-12-13(24)11-25-16-6-4-3-5-14(16)22-23-25/h3-6,13H,7-12H2,1-2H3/t13-/m0/s1