(phenylmethyl) 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetic acid benzyl ester Formula: C16H12ClNO2S2 MolecularWeight: 349.85498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H12ClNO2S2/c17-12-6-7-14-13(8-12)18-16(22-14)21-10-15(19)20-9-11-4-2-1-3-5-11/h1-8H,9-10H2