propan-2-yl (2E)-2-(2,1,3-benzothiadiazol-4-ylmethylidene)-3-oxidanylidene-pentanoate

Systemtic Name: propan-2-yl (2E)-2-(2,1,3-benzothiadiazol-4-ylmethylidene)-3-oxidanylidene-pentanoate Openeye Name: isopropyl (2E)-2-(2,1,3-benzothiadiazol-4-ylmethylene)-3-oxo-pentanoate CAS Name: (2E)-2-(2,1,3-benzothiadiazol-4-ylmethylidene)-3-oxopentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2E)-2-(2,1,3-benzothiadiazol-4-ylmethylidene)-3-oxopentanoate Traditional Name: (E)-3-piazthiol-4-yl-2-propionyl-acrylic acid isopropyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=CC1=CC=CC2=NSN=C21)C(=O)OC(C)C

Isomeric SMILES

CCC(=O)/C(=C\C1=CC=CC2=NSN=C21)/C(=O)OC(C)C

InChI

InChI=1S/C15H16N2O3S/c1-4-13(18)11(15(19)20-9(2)3)8-10-6-5-7-12-14(10)17-21-16-12/h5-9H,4H2,1-3H3/b11-8+