[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dimethylphenoxy)ethanoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dimethylphenoxy)ethanoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-(2,3-dimethylphenoxy)acetate CAS Name: 2-(2,3-dimethylphenoxy)acetic 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] 2-(2,3-dimethylphenoxy)acetate Traditional Name: 2-(2,3-dimethylphenoxy)acetic 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=C(C(=CC=C1)OCC(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-11-5-4-6-15(12(11)2)23-10-16(21)24-13(3)17(22)20-18-14(9-19)7-8-25-18/h4-8,13H,10H2,1-3H3,(H,20,22)/t13-/m0/s1