[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3-acetamidopropanoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3-acetamidopropanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OCC(=O)C(=C1N(C2=CC=CC=C2S1)C)C#N

Isomeric SMILES

CC(=O)NCCC(=O)OCC(=O)/C(=C\1/N(C2=CC=CC=C2S1)C)/C#N

InChI

InChI=1S/C17H17N3O4S/c1-11(21)19-8-7-16(23)24-10-14(22)12(9-18)17-20(2)13-5-3-4-6-15(13)25-17/h3-6H,7-8,10H2,1-2H3,(H,19,21)/b17-12-