2-[[2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[2-[(4-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[[2-[(4-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[2-[(4-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[(3-keto-2-p-anisylidene-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-methyl-ammonium Formula: C27H28N3O3S+ MolecularWeight: 474.59452

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=C(C=C3)OC)C(=O)N2)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=C(C=C3)OC)C(=O)N2)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-30(18-20-6-4-3-5-7-20)15-14-28-26(31)21-10-13-24-23(17-21)29-27(32)25(34-24)16-19-8-11-22(33-2)12-9-19/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,31)(H,29,32)/p+1