N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-chloranylphenoxy)ethanamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-chloranylphenoxy)ethanamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=C(C=C3)Cl)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=C(C=C3)Cl)S2)CC#C

InChI

InChI=1S/C20H16ClN3O3S/c1-3-10-24-17-9-6-15(22-13(2)25)11-18(17)28-20(24)23-19(26)12-27-16-7-4-14(21)5-8-16/h1,4-9,11H,10,12H2,2H3,(H,22,25)