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

Systemtic Name: (2R)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methylsulfanyl-propanoate Openeye Name: (2R)-2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2R)-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoate IUPAC Name: (2R)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2R)-2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-(methylthio)propionate Formula: C16H16NO6S- MolecularWeight: 350.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSC)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CSC)C(=O)[O-]

InChI

InChI=1S/C16H17NO6S/c1-9-5-15(19)23-13-6-10(3-4-11(9)13)22-7-14(18)17-12(8-24-2)16(20)21/h3-6,12H,7-8H2,1-2H3,(H,17,18)(H,20,21)/p-1/t12-/m0/s1