(1S,2S)-1,2-bis(6-azanyl-1,3-benzothiazol-2-yl)ethane-1,2-diol

Systemtic Name: (1S,2S)-1,2-bis(6-azanyl-1,3-benzothiazol-2-yl)ethane-1,2-diol Openeye Name: (1S,2S)-1,2-bis(6-amino-1,3-benzothiazol-2-yl)ethane-1,2-diol CAS Name: (1S,2S)-1,2-bis(6-amino-1,3-benzothiazol-2-yl)ethane-1,2-diol IUPAC Name: (1S,2S)-1,2-bis(6-amino-1,3-benzothiazol-2-yl)ethane-1,2-diol Traditional Name: (1S,2S)-1,2-bis(6-amino-1,3-benzothiazol-2-yl)ethane-1,2-diol Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)SC(=N2)C(C(C3=NC4=C(S3)C=C(C=C4)N)O)O

Isomeric SMILES

C1=CC2=C(C=C1N)SC(=N2)[C@H]([C@@H](C3=NC4=C(S3)C=C(C=C4)N)O)O

InChI

InChI=1S/C16H14N4O2S2/c17-7-1-3-9-11(5-7)23-15(19-9)13(21)14(22)16-20-10-4-2-8(18)6-12(10)24-16/h1-6,13-14,21-22H,17-18H2/t13-,14-/m0/s1