[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(3-methylphenoxy)propanoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(3-methylphenoxy)propanoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] (2S)-2-(3-methylphenoxy)propanoate CAS Name: (2S)-2-(3-methylphenoxy)propanoic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate Traditional Name: (2S)-2-(3-methylphenoxy)propionic acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)O[C@@H](C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H18N2O4S/c1-11-5-4-6-15(9-11)23-13(3)18(22)24-12(2)16(21)20-17-14(10-19)7-8-25-17/h4-9,12-13H,1-3H3,(H,20,21)/t12-,13-/m0/s1