N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide Formula: C23H23BrN2O4S MolecularWeight: 503.40872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

InChI

InChI=1S/C23H23BrN2O4S/c1-5-11-26-17-10-9-16(24)14-20(17)31-23(26)25-22(27)15-12-18(28-6-2)21(30-8-4)19(13-15)29-7-3/h1,9-10,12-14H,6-8,11H2,2-4H3