2-(hydroxymethyl)-2-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methylamino]propane-1,3-diol

Systemtic Name: 2-(hydroxymethyl)-2-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methylamino]propane-1,3-diol Openeye Name: 2-(hydroxymethyl)-2-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methylamino]propane-1,3-diol CAS Name: 2-(hydroxymethyl)-2-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methylamino]propane-1,3-diol IUPAC Name: 2-(hydroxymethyl)-2-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methylamino]propane-1,3-diol Traditional Name: 2-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methylamino]-2-methylol-propane-1,3-diol Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CNC(CO)(CO)CO

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3CNC(CO)(CO)CO

InChI

InChI=1S/C17H21N3O3S/c1-12-4-5-14-15(7-12)24-16(19-14)20-6-2-3-13(20)8-18-17(9-21,10-22)11-23/h2-7,18,21-23H,8-11H2,1H3