ethyl 2-(2-azanyl-3-methyl-1,3-benzothiazol-3-ium-6-yl)ethanoate

Systemtic Name: ethyl 2-(2-azanyl-3-methyl-1,3-benzothiazol-3-ium-6-yl)ethanoate Openeye Name: ethyl 2-(2-amino-3-methyl-1,3-benzothiazol-3-ium-6-yl)acetate CAS Name: 2-(2-amino-3-methyl-1,3-benzothiazol-3-ium-6-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-3-methyl-1,3-benzothiazol-3-ium-6-yl)acetate Traditional Name: 2-(2-amino-3-methyl-1,3-benzothiazol-3-ium-6-yl)acetic acid ethyl ester Formula: C12H15N2O2S+ MolecularWeight: 251.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC2=C(C=C1)[N+](=C(S2)N)C

Isomeric SMILES

CCOC(=O)CC1=CC2=C(C=C1)[N+](=C(S2)N)C

InChI

InChI=1S/C12H14N2O2S/c1-3-16-11(15)7-8-4-5-9-10(6-8)17-12(13)14(9)2/h4-6,13H,3,7H2,1-2H3/p+1