[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-butylphenyl)ethanoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-butylphenyl)ethanoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-butylphenyl)acetate CAS Name: 2-(4-butylphenyl)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-(4-butylphenyl)acetate Traditional Name: 2-(4-butylphenyl)acetic acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)O[C@@H](C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C20H22N2O3S/c1-3-4-5-15-6-8-16(9-7-15)12-18(23)25-14(2)19(24)22-20-17(13-21)10-11-26-20/h6-11,14H,3-5,12H2,1-2H3,(H,22,24)/t14-/m0/s1