N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide

Systemtic Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide Openeye Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide CAS Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide IUPAC Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide Traditional Name: N-(6-ethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C=C3)OC)OC)S2)CC#C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C=C3)OC)OC)S2)CC#C

InChI

InChI=1S/C21H20N2O3S/c1-5-11-23-16-9-7-14(6-2)12-19(16)27-21(23)22-20(24)15-8-10-17(25-3)18(13-15)26-4/h1,7-10,12-13H,6,11H2,2-4H3