N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanyl-benzamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanyl-benzamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanyl-benzamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(methylthio)benzamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfanylbenzamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(methylthio)benzamide Formula: C20H18N2O2S2 MolecularWeight: 382.49912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)SC)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)SC)S2)CC#C

InChI

InChI=1S/C20H18N2O2S2/c1-4-11-22-17-10-9-15(24-5-2)13-18(17)26-20(22)21-19(23)14-7-6-8-16(12-14)25-3/h1,6-10,12-13H,5,11H2,2-3H3