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

Systemtic Name: (2R)-2-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]-3-methylsulfanyl-propanoate Openeye Name: (2R)-2-[[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2R)-2-[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-(methylthio)propanoate IUPAC Name: (2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2R)-2-[[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-(methylthio)propionate Formula: C23H22NO6S- MolecularWeight: 440.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSC)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CSC)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H23NO6S/c1-14-17-9-8-16(29-12-21(25)24-19(13-31-2)22(26)27)11-20(17)30-23(28)18(14)10-15-6-4-3-5-7-15/h3-9,11,19H,10,12-13H2,1-2H3,(H,24,25)(H,26,27)/p-1/t19-/m0/s1