[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic 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] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N)C

InChI

InChI=1S/C20H18N2O3S2/c1-4-16-12(2)9-18(26-16)20(24)25-11-15(23)13(10-21)19-22(3)14-7-5-6-8-17(14)27-19/h5-9H,4,11H2,1-3H3/b19-13-