2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(4-ethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(4-ethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(4-ethyl-2-keto-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C23H23NO6S MolecularWeight: 441.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO6S/c1-2-16-10-22(26)30-20-11-17(8-9-18(16)20)29-12-21(25)24-19(23(27)28)14-31-13-15-6-4-3-5-7-15/h3-11,19H,2,12-14H2,1H3,(H,24,25)(H,27,28)