(5-chloranyl-1,3-benzothiazol-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-chloranyl-1,3-benzothiazol-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-chloro-1,3-benzothiazol-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-chloro-1,3-benzothiazol-2-yl)methyl ester IUPAC Name: (5-chloro-1,3-benzothiazol-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-chloro-1,3-benzothiazol-2-yl)methyl ester Formula: C15H12ClNO3S2 MolecularWeight: 353.84368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C15H12ClNO3S2/c1-10-2-5-12(6-3-10)22(18,19)20-9-15-17-13-8-11(16)4-7-14(13)21-15/h2-8H,9H2,1H3