4-[1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]butan-2-one

Systemtic Name: 4-[1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]butan-2-one Openeye Name: 4-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)butan-2-one CAS Name: 4-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)-2-butanone IUPAC Name: 4-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)butan-2-one Traditional Name: 4-(2,2-diketo-1,3-dimethyl-2,1-benzothiazol-3-yl)butan-2-one Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C2=CC=CC=C2N(S1(=O)=O)C)C

Isomeric SMILES

CC(=O)CCC1(C2=CC=CC=C2N(S1(=O)=O)C)C

InChI

InChI=1S/C13H17NO3S/c1-10(15)8-9-13(2)11-6-4-5-7-12(11)14(3)18(13,16)17/h4-7H,8-9H2,1-3H3