3-butoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3-butoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3-butoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3-butoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3-butoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3-butoxy-N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H26N2O5S2 MolecularWeight: 462.58224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCOC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCOC

InChI

InChI=1S/C22H26N2O5S2/c1-4-5-12-29-17-8-6-7-16(14-17)21(25)23-22-24(11-13-28-2)19-10-9-18(31(3,26)27)15-20(19)30-22/h6-10,14-15H,4-5,11-13H2,1-3H3