ethyl 2-(3-aminocarbonyl-7-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)ethanoate

Systemtic Name: ethyl 2-(3-aminocarbonyl-7-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: ethyl 2-(3-carbamoyl-7-chloro-2-oxo-1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(3-carbamoyl-7-chloro-2-oxo-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-carbamoyl-7-chloro-2-oxo-1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(3-carbamoyl-7-chloro-2-keto-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester Formula: C12H12ClN2O4S+ MolecularWeight: 315.75268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(C2=C(C(=CC=C2)Cl)SC1=O)C(=O)N

Isomeric SMILES

CCOC(=O)C[N+]1(C2=C(C(=CC=C2)Cl)SC1=O)C(=O)N

InChI

InChI=1S/C12H11ClN2O4S/c1-2-19-9(16)6-15(11(14)17)8-5-3-4-7(13)10(8)20-12(15)18/h3-5H,2,6H2,1H3,(H-,14,17)/p+1