ethyl 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-methyl-propanoate CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-methylpropanoate Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C13H14ClNO2S2 MolecularWeight: 315.83876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C13H14ClNO2S2/c1-4-17-11(16)13(2,3)19-12-15-9-7-8(14)5-6-10(9)18-12/h5-7H,4H2,1-3H3