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

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-ethoxyethanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic 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] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-3-21-10-15(20)22-9-13(19)11(8-17)16-18(2)12-6-4-5-7-14(12)23-16/h4-7H,3,9-10H2,1-2H3/b16-11-