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

Systemtic Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide Openeye Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide CAS Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide IUPAC Name: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide Traditional Name: N-(4-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC(=C3)OC)OC)N2CC#C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC(=C3)OC)OC)N2CC#C

InChI

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