[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone

Systemtic Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Openeye Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone CAS Name: [(2R,6R)-2,6-dimethyl-4-morpholinyl]-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methanone IUPAC Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Traditional Name: [(2R,6R)-2,6-dimethylmorpholino]-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C18H19N3O2S/c1-12-10-21(11-13(2)23-12)17(22)14-5-6-15-16(9-14)24-18(19-15)20-7-3-4-8-20/h3-9,12-13H,10-11H2,1-2H3/t12-,13-/m1/s1