2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(o-tolylmethylsulfanyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(2-methylphenyl)methylthio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(2-methylbenzyl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC1=CC=CC=C1CSCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H17NO3S2/c1-13-6-2-3-7-14(13)12-22-11-10-18-17(19)15-8-4-5-9-16(15)23(18,20)21/h2-9H,10-12H2,1H3