ethyl 3-(2-azanyl-7-chloranyl-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(2-azanyl-7-chloranyl-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(2-amino-7-chloro-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxo-propanoate CAS Name: 3-(2-amino-7-chloro-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-7-chloro-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-oxopropanoate Traditional Name: 3-(2-amino-7-chloro-4-phenyl-4H-3,1-benzothiazin-1-ium-1-yl)-2-keto-propionic acid ethyl ester Formula: C19H18ClN2O3S+ MolecularWeight: 389.87582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C[N+]1=C(SC(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C(=O)C[N+]1=C(SC(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)N

InChI

InChI=1S/C19H17ClN2O3S/c1-2-25-18(24)16(23)11-22-15-10-13(20)8-9-14(15)17(26-19(22)21)12-6-4-3-5-7-12/h3-10,17,21H,2,11H2,1H3/p+1