1,3-benzothiazol-2-ylmethyl-[2-[(2R)-2-methoxycarbonylthiomorpholin-4-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2R)-2-methoxycarbonylthiomorpholin-4-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2R)-2-methoxycarbonylthiomorpholin-4-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2R)-2-methoxycarbonyl-4-thiomorpholinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2R)-2-methoxycarbonylthiomorpholin-4-yl]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2R)-2-carbomethoxythiomorpholin-4-yl]-2-keto-ethyl]-methyl-ammonium Formula: C17H22N3O3S2+ MolecularWeight: 380.50488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-19(10-15-18-12-5-3-4-6-13(12)25-15)11-16(21)20-7-8-24-14(9-20)17(22)23-2/h3-6,14H,7-11H2,1-2H3/p+1/t14-/m1/s1