(2S)-2-ethoxy-3-[4-[2-[(4-ethoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethoxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-ethoxy-3-[4-[2-[(4-ethoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethoxy]phenyl]propanoic acid Openeye Name: (2S)-2-ethoxy-3-[4-[2-[(4-ethoxyphenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: (2S)-2-ethoxy-3-[4-[2-[(4-ethoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-ethoxy-3-[4-[2-[(4-ethoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid Traditional Name: (2S)-2-ethoxy-3-[4-[2-[(4-ethoxybenzyl)-(2-thenyl)amino]-2-keto-ethoxy]phenyl]propionic acid Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CC2=CC=CS2)C(=O)COC3=CC=C(C=C3)CC(C(=O)O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CC2=CC=CS2)C(=O)COC3=CC=C(C=C3)C[C@@H](C(=O)O)OCC

InChI

InChI=1S/C27H31NO6S/c1-3-32-22-13-9-21(10-14-22)17-28(18-24-6-5-15-35-24)26(29)19-34-23-11-7-20(8-12-23)16-25(27(30)31)33-4-2/h5-15,25H,3-4,16-19H2,1-2H3,(H,30,31)/t25-/m0/s1