2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4-ethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-ethyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(4-ethyl-2-keto-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C18H21NO6S MolecularWeight: 379.42744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-3-11-8-17(21)25-15-9-12(4-5-13(11)15)24-10-16(20)19-14(18(22)23)6-7-26-2/h4-5,8-9,14H,3,6-7,10H2,1-2H3,(H,19,20)(H,22,23)