2-[2-(4-tert-butylphenyl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(4-tert-butylphenyl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(4-tert-butylphenyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-[(4-tert-butylphenyl)thio]ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S2/c1-19(2,3)14-8-10-15(11-9-14)24-13-12-20-18(21)16-6-4-5-7-17(16)25(20,22)23/h4-11H,12-13H2,1-3H3