(4Z,6Z)-N7-phenyl-2-propan-2-yloxy-1,3,5,6,2-benzoxathiadiazaboronine-4,7-diamine

Systemtic Name: (4Z,6Z)-N7-phenyl-2-propan-2-yloxy-1,3,5,6,2-benzoxathiadiazaboronine-4,7-diamine Openeye Name: (4Z,6Z)-2-isopropoxy-N7-phenyl-1,3,5,6,2-benzoxathiadiazaboronine-4,7-diamine CAS Name: (4Z,6Z)-N7-phenyl-2-propan-2-yloxy-1,3,5,6,2-benzoxathiadiazaboronine-4,7-diamine IUPAC Name: (4Z,6Z)-7-N-phenyl-2-propan-2-yloxy-1,3,5,6,2-benzoxathiadiazaboronine-4,7-diamine Traditional Name: [(4Z,6Z)-4-amino-2-isopropoxy-1,3,5,6,2-benzoxathiadiazaboronin-7-yl]-phenyl-amine Formula: C17H19BN4O2S MolecularWeight: 354.23436

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC2=CC=CC=C2C(=NN=C(S1)N)NC3=CC=CC=C3)OC(C)C

Isomeric SMILES

B1(OC2=CC=CC=C2/C(=N/N=C(\S1)/N)/NC3=CC=CC=C3)OC(C)C

InChI

InChI=1S/C17H19BN4O2S/c1-12(2)23-18-24-15-11-7-6-10-14(15)16(21-22-17(19)25-18)20-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,19,22)(H,20,21)