[(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)NC2=CC=CC=C2C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C(C)C

InChI

InChI=1S/C22H27NO4S/c1-5-26-17-10-12-18(13-11-17)28-14-21(24)27-16(4)22(25)23-20-9-7-6-8-19(20)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)/t16-/m0/s1