(2S)-2-azido-1-[(3S)-3-tert-butyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]-3-phenyl-propan-1-one

Systemtic Name: (2S)-2-azido-1-[(3S)-3-tert-butyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]-3-phenyl-propan-1-one Openeye Name: (2S)-2-azido-1-[(3S)-3-tert-butyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]-3-phenyl-propan-1-one CAS Name: (2S)-2-azido-1-[(3S)-3-tert-butyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]-3-phenyl-1-propanone IUPAC Name: (2S)-2-azido-1-[(3S)-3-tert-butyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]-3-phenylpropan-1-one Traditional Name: (2S)-2-azido-1-[(3S)-3-tert-butyl-1,1-diketo-3H-1,2-benzothiazol-2-yl]-3-phenyl-propan-1-one Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=CC=CC=C2S(=O)(=O)N1C(=O)C(CC3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)[C@H]1C2=CC=CC=C2S(=O)(=O)N1C(=O)[C@H](CC3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C20H22N4O3S/c1-20(2,3)18-15-11-7-8-12-17(15)28(26,27)24(18)19(25)16(22-23-21)13-14-9-5-4-6-10-14/h4-12,16,18H,13H2,1-3H3/t16-,18+/m0/s1