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

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxy-benzamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxy-benzamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxy-benzamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-5-11-23-17-9-7-15(27-6-2)13-19(17)28-21(23)22-20(24)16-12-14(25-3)8-10-18(16)26-4/h1,7-10,12-13H,6,11H2,2-4H3