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

Systemtic Name: ethyl 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]pentanoate Openeye Name: ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]pentanoate CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]pentanoate Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]valeric acid ethyl ester Formula: C14H16ClNO2S2 MolecularWeight: 329.86534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C14H16ClNO2S2/c1-3-5-12(13(17)18-4-2)20-14-16-10-8-9(15)6-7-11(10)19-14/h6-8,12H,3-5H2,1-2H3