(2R)-2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]-3-methylsulfanyl-propanoate

Systemtic Name: (2R)-2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]-3-methylsulfanyl-propanoate Openeye Name: (2R)-2-[[2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2R)-2-[[2-[(7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoate IUPAC Name: (2R)-2-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2R)-2-[[2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxyacetyl]amino]-3-(methylthio)propionate Formula: C19H22NO6S- MolecularWeight: 392.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSC)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N[C@@H](CSC)C(=O)[O-]

InChI

InChI=1S/C19H23NO6S/c1-4-5-12-8-17(22)26-15-7-11(2)6-14(18(12)15)25-9-16(21)20-13(10-27-3)19(23)24/h6-8,13H,4-5,9-10H2,1-3H3,(H,20,21)(H,23,24)/p-1/t13-/m0/s1