ethyl (2S)-2-cyano-3-[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]imino-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(R)-(4-isopropylphenyl)-(2-thienyl)methyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(R)-p-cumenyl(2-thienyl)methyl]imino-propionic acid ethyl ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(C1=CC=C(C=C1)C(C)C)C2=CC=CS2)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=N[C@H](C1=CC=C(C=C1)C(C)C)C2=CC=CS2)C#N

InChI

InChI=1S/C20H22N2O2S/c1-4-24-20(23)17(12-21)13-22-19(18-6-5-11-25-18)16-9-7-15(8-10-16)14(2)3/h5-11,13-14,17,19H,4H2,1-3H3/t17-,19-/m1/s1