2-azanyl-2-[3-[4-(1,3-benzothiazol-2-ylmethoxy)-2-chloranyl-phenyl]propyl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[3-[4-(1,3-benzothiazol-2-ylmethoxy)-2-chloranyl-phenyl]propyl]propane-1,3-diol Openeye Name: 2-amino-2-[3-[4-(1,3-benzothiazol-2-ylmethoxy)-2-chloro-phenyl]propyl]propane-1,3-diol CAS Name: 2-amino-2-[3-[4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorophenyl]propyl]propane-1,3-diol IUPAC Name: 2-amino-2-[3-[4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorophenyl]propyl]propane-1,3-diol Traditional Name: 2-amino-2-[3-[4-(1,3-benzothiazol-2-ylmethoxy)-2-chloro-phenyl]propyl]propane-1,3-diol Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC3=CC(=C(C=C3)CCCC(CO)(CO)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC3=CC(=C(C=C3)CCCC(CO)(CO)N)Cl

InChI

InChI=1S/C20H23ClN2O3S/c21-16-10-15(8-7-14(16)4-3-9-20(22,12-24)13-25)26-11-19-23-17-5-1-2-6-18(17)27-19/h1-2,5-8,10,24-25H,3-4,9,11-13,22H2