ethyl 3-(2-azanyl-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(2-azanyl-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(2-amino-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxo-propanoate CAS Name: 3-(2-amino-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxopropanoate Traditional Name: 3-(2-amino-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-keto-propionic acid ethyl ester Formula: C19H19N2O3S+ MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C[N+]1=C(SC(C2=CC=CC=C21)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C(=O)C[N+]1=C(SC(C2=CC=CC=C21)C3=CC=CC=C3)N

InChI

InChI=1S/C19H18N2O3S/c1-2-24-18(23)16(22)12-21-15-11-7-6-10-14(15)17(25-19(21)20)13-8-4-3-5-9-13/h3-11,17,20H,2,12H2,1H3/p+1