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

Systemtic Name: 2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(4-butylphenyl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(4-butylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-butylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(4-butylphenyl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C19H19NO4S/c1-2-3-6-14-9-11-15(12-10-14)17(21)13-20-19(22)16-7-4-5-8-18(16)25(20,23)24/h4-5,7-12H,2-3,6,13H2,1H3