2-(2-azanyl-4-ethyl-1,3-benzothiazol-6-yl)ethanoate; methane

Systemtic Name: 2-(2-azanyl-4-ethyl-1,3-benzothiazol-6-yl)ethanoate; methane Openeye Name: 2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)acetate; methane CAS Name: 2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)acetate; methane IUPAC Name: 2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)acetate; methane Traditional Name: 2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)acetate; methane Formula: C12H15N2O2S- MolecularWeight: 251.3247

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Descriptors Computed from Structure

Canonical SMILES:

C.CCC1=C2C(=CC(=C1)CC(=O)[O-])SC(=N2)N

Isomeric SMILES

C.CCC1=C2C(=CC(=C1)CC(=O)[O-])SC(=N2)N

InChI

InChI=1S/C11H12N2O2S.CH4/c1-2-7-3-6(5-9(14)15)4-8-10(7)13-11(12)16-8;/h3-4H,2,5H2,1H3,(H2,12,13)(H,14,15);1H4/p-1