1,3-benzothiazol-2-ylmethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H13Cl2NO2S2 MolecularWeight: 398.32662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2NO2S2/c18-12-6-5-11(7-13(12)19)9-23-10-17(21)22-8-16-20-14-3-1-2-4-15(14)24-16/h1-7H,8-10H2