ethyl 2-[(7-chloranyl-3-oxidanidyl-1,3-benzothiazol-3-ium-2-yl)carbonylamino]propanoate

Systemtic Name: ethyl 2-[(7-chloranyl-3-oxidanidyl-1,3-benzothiazol-3-ium-2-yl)carbonylamino]propanoate Openeye Name: ethyl 2-[(7-chloro-3-oxido-1,3-benzothiazol-3-ium-2-carbonyl)amino]propanoate CAS Name: 2-[[(7-chloro-3-oxido-1,3-benzothiazol-3-ium-2-yl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(7-chloro-3-oxido-1,3-benzothiazol-3-ium-2-carbonyl)amino]propanoate Traditional Name: 2-[(7-chloro-3-oxido-1,3-benzothiazol-3-ium-2-carbonyl)amino]propionic acid ethyl ester Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1=[N+](C2=C(S1)C(=CC=C2)Cl)[O-]

Isomeric SMILES

CCOC(=O)C(C)NC(=O)C1=[N+](C2=C(S1)C(=CC=C2)Cl)[O-]

InChI

InChI=1S/C13H13ClN2O4S/c1-3-20-13(18)7(2)15-11(17)12-16(19)9-6-4-5-8(14)10(9)21-12/h4-7H,3H2,1-2H3,(H,15,17)