2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid; N-methylmethanamine

Systemtic Name: 2-(4-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid; N-methylmethanamine Openeye Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid; N-methylmethanamine CAS Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid; N-methylmethanamine IUPAC Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid; N-methylmethanamine Traditional Name: 2-(4-chloro-2-keto-1,3-benzothiazol-3-yl)acetic acid; dimethylamine Formula: C11H13ClN2O3S MolecularWeight: 288.75052

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O

Isomeric SMILES

CNC.C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O

InChI

InChI=1S/C9H6ClNO3S.C2H7N/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;1-3-2/h1-3H,4H2,(H,12,13);3H,1-2H3