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

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-6-10-24-16-9-8-15(29-7-2)13-19(16)30-22(24)23-21(25)14-11-17(26-3)20(28-5)18(12-14)27-4/h1,8-9,11-13H,7,10H2,2-5H3