N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide Openeye Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide IUPAC Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide Traditional Name: N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-esyl-benzamide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC#C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC#C

InChI

InChI=1S/C21H20N2O5S2/c1-5-12-23-18-16(27-3)10-11-17(28-4)19(18)29-21(23)22-20(24)14-8-7-9-15(13-14)30(25,26)6-2/h1,7-11,13H,6,12H2,2-4H3