ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]azanium

Systemtic Name: ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]azanium Openeye Name: ethyl-[2-(ethylamino)-2-oxo-ethyl]-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]ammonium CAS Name: ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]ammonium IUPAC Name: ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]azanium Traditional Name: ethyl-[2-(ethylamino)-2-keto-ethyl]-[2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C[NH+](CC)CC(=O)N1C(CSC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C[NH+](CC)CC(=O)N1[C@H](CSC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-3-23-21(26)14-24(4-2)15-22(27)25-18-12-8-9-13-20(18)28-16-19(25)17-10-6-5-7-11-17/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1