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

Systemtic Name: ethyl (2S)-2-cyano-3-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(R)-p-tolyl(2-thienyl)methyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(R)-p-tolyl(2-thienyl)methyl]imino-propionic acid ethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-3-22-18(21)15(11-19)12-20-17(16-5-4-10-23-16)14-8-6-13(2)7-9-14/h4-10,12,15,17H,3H2,1-2H3/t15-,17-/m1/s1