2-[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-carbomethoxy-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

C[NH+](C)CCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C15H21N3O3S/c1-17(2)9-8-16-15(22)18-10-13(14(19)20-3)21-12-7-5-4-6-11(12)18/h4-7,13H,8-10H2,1-3H3,(H,16,22)/p+1/t13-/m0/s1