2-[2-(2,5-dimethylphenyl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(2,5-dimethylphenyl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(2,5-dimethylphenyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(2,5-dimethylphenyl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-[(2,5-dimethylphenyl)thio]ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H17NO3S2/c1-12-7-8-13(2)15(11-12)22-10-9-18-17(19)14-5-3-4-6-16(14)23(18,20)21/h3-8,11H,9-10H2,1-2H3