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

Systemtic Name: ethyl 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]octanoate Openeye Name: ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]octanoate CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]octanoate Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]caprylic acid ethyl ester Formula: C17H22ClNO2S2 MolecularWeight: 371.94508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO2S2/c1-3-5-6-7-8-15(16(20)21-4-2)23-17-19-13-11-12(18)9-10-14(13)22-17/h9-11,15H,3-8H2,1-2H3