2-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(4-butyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[(4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C20H25NO6S/c1-4-5-6-13-9-18(23)27-16-8-12(2)7-15(19(13)16)26-10-17(22)21-14(11-28-3)20(24)25/h7-9,14H,4-6,10-11H2,1-3H3,(H,21,22)(H,24,25)