4-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-ethylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-esyl-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H18N2O4S2 MolecularWeight: 414.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC#C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC#C

InChI

InChI=1S/C20H18N2O4S2/c1-4-12-22-17-11-8-15(26-3)13-18(17)27-20(22)21-19(23)14-6-9-16(10-7-14)28(24,25)5-2/h1,6-11,13H,5,12H2,2-3H3