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

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-thiophen-3-ylethanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic 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-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)CC3=CSC=C3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)CC3=CSC=C3

InChI

InChI=1S/C18H14N2O3S2/c1-20-14-4-2-3-5-16(14)25-18(20)13(9-19)15(21)10-23-17(22)8-12-6-7-24-11-12/h2-7,11H,8,10H2,1H3/b18-13-