(2R)-2-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-3-methylsulfanyl-propanoate

Systemtic Name: (2R)-2-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-3-methylsulfanyl-propanoate Openeye Name: (2R)-2-[[2-(7,8-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2R)-2-[[2-(7,8-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoate IUPAC Name: (2R)-2-[[2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2R)-2-[[2-(7,8-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionate Formula: C16H16NO7S- MolecularWeight: 366.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)NC(CSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)N[C@@H](CSC)C(=O)[O-]

InChI

InChI=1S/C16H17NO7S/c1-7-8-3-4-11(18)13(20)14(8)24-16(23)9(7)5-12(19)17-10(6-25-2)15(21)22/h3-4,10,18,20H,5-6H2,1-2H3,(H,17,19)(H,21,22)/p-1/t10-/m0/s1