ethyl (2S,3R)-2-cyano-3-(furan-2-yl)-3-[(3S)-2-sulfanylidene-3H-1-benzothiophen-3-yl]propanoate

Systemtic Name: ethyl (2S,3R)-2-cyano-3-(furan-2-yl)-3-[(3S)-2-sulfanylidene-3H-1-benzothiophen-3-yl]propanoate Openeye Name: ethyl (2S,3R)-2-cyano-3-(2-furyl)-3-[(3S)-2-thioxo-3H-benzothiophen-3-yl]propanoate CAS Name: (2S,3R)-2-cyano-3-(2-furanyl)-3-[(3S)-2-sulfanylidene-3H-1-benzothiophen-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-cyano-3-(furan-2-yl)-3-[(3S)-2-sulfanylidene-3H-1-benzothiophen-3-yl]propanoate Traditional Name: (2S,3R)-2-cyano-3-(2-furyl)-3-[(3S)-2-thioxo-3H-benzothiophen-3-yl]propionic acid ethyl ester Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1C2=CC=CC=C2SC1=S)C3=CC=CO3

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@H]([C@H]1C2=CC=CC=C2SC1=S)C3=CC=CO3

InChI

InChI=1S/C18H15NO3S2/c1-2-21-17(20)12(10-19)15(13-7-5-9-22-13)16-11-6-3-4-8-14(11)24-18(16)23/h3-9,12,15-16H,2H2,1H3/t12-,15+,16-/m1/s1