2-[6-[(1-ethoxy-1-oxidanylidene-3-phenoxy-propan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-3-phenoxy-propan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[[2-ethoxy-2-oxo-1-(phenoxymethyl)ethyl]amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-3-phenoxypropan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-3-phenoxypropan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[[2-ethoxy-2-keto-1-(phenoxymethyl)ethyl]amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C24H28N2O6S MolecularWeight: 472.55392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(COC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(COC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O6S/c1-2-31-24(30)19(14-32-18-11-7-4-8-12-18)25-20-15-33-16-21(17-9-5-3-6-10-17)26(23(20)29)13-22(27)28/h3-12,19-21,25H,2,13-16H2,1H3,(H,27,28)