2-[(E)-4-(5-azido-1,3-dioxan-2-yl)-2-methyl-but-2-enyl]sulfonyl-1,3-benzothiazole

Systemtic Name: 2-[(E)-4-(5-azido-1,3-dioxan-2-yl)-2-methyl-but-2-enyl]sulfonyl-1,3-benzothiazole Openeye Name: 2-[(E)-4-(5-azido-1,3-dioxan-2-yl)-2-methyl-but-2-enyl]sulfonyl-1,3-benzothiazole CAS Name: 2-[(E)-4-(5-azido-1,3-dioxan-2-yl)-2-methylbut-2-enyl]sulfonyl-1,3-benzothiazole IUPAC Name: 2-[(E)-4-(5-azido-1,3-dioxan-2-yl)-2-methylbut-2-enyl]sulfonyl-1,3-benzothiazole Traditional Name: 2-[(E)-4-(5-azido-1,3-dioxan-2-yl)-2-methyl-but-2-enyl]sulfonyl-1,3-benzothiazole Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1OCC(CO1)N=[N+]=[N-])CS(=O)(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C/C(=C\CC1OCC(CO1)N=[N+]=[N-])/CS(=O)(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N4O4S2/c1-11(6-7-15-23-8-12(9-24-15)19-20-17)10-26(21,22)16-18-13-4-2-3-5-14(13)25-16/h2-6,12,15H,7-10H2,1H3/b11-6+