4-ethoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-ethoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-ethoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-ethoxy-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-ethoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-ethoxy-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H22N2O4S3 MolecularWeight: 450.59468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

InChI

InChI=1S/C20H22N2O4S3/c1-4-26-15-7-5-14(6-8-15)19(23)21-20-22(11-12-27-2)17-10-9-16(29(3,24)25)13-18(17)28-20/h5-10,13H,4,11-12H2,1-3H3