1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; (1S,2R)-2-(dimethylamino)-1-phenyl-propan-1-ol

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; (1S,2R)-2-(dimethylamino)-1-phenyl-propan-1-ol Openeye Name: (1S,2R)-2-(dimethylamino)-1-phenyl-propan-1-ol; 1,1-dioxo-1,2-benzothiazol-3-one CAS Name: (1S,2R)-2-(dimethylamino)-1-phenyl-1-propanol; 1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: (1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol; 1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-1,2-benzothiazol-3-one; (1S,2R)-2-(dimethylamino)-1-phenyl-propan-1-ol Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)C.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)N(C)C.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C11H17NO.C7H5NO3S/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h4-9,11,13H,1-3H3;1-4H,(H,8,9)/t9-,11-;/m1./s1