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

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethoxy-benzamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethoxy-benzamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-ethoxy-benzamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CC#C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CC#C

InChI

InChI=1S/C21H20N2O2S/c1-5-11-23-18-12-14(3)15(4)13-19(18)26-21(23)22-20(24)16-7-9-17(10-8-16)25-6-2/h1,7-10,12-13H,6,11H2,2-4H3