diethyl-[(2S)-1-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-diethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C22H27N3O2S/c1-3-25(4-2)18(12-16-8-6-5-7-9-16)14-23-22(27)17-10-11-20-19(13-17)24-21(26)15-28-20/h5-11,13,18H,3-4,12,14-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t18-/m0/s1