3-[1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propyl ester IUPAC Name: 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(2,2-diketo-1,3-dimethyl-2,1-benzothiazol-3-yl)propyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(C3=CC=CC=C3N(S2(=O)=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(C3=CC=CC=C3N(S2(=O)=O)C)C

InChI

InChI=1S/C19H23NO5S2/c1-15-9-11-16(12-10-15)26(21,22)25-14-6-13-19(2)17-7-4-5-8-18(17)20(3)27(19,23)24/h4-5,7-12H,6,13-14H2,1-3H3