phenyl 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C15H12ClNO3S3 MolecularWeight: 385.90868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C15H12ClNO3S3/c16-11-6-7-14-13(10-11)17-15(22-14)21-8-9-23(18,19)20-12-4-2-1-3-5-12/h1-7,10H,8-9H2