(2R)-2-[2-(4,7-dimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[2-(4,7-dimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(4,7-dimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]propanoate CAS Name: (2R)-2-[[2-[(4,7-dimethyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(2-keto-4,7-dimethyl-chromen-5-yl)oxyacetyl]amino]propionate Formula: C23H22NO6S- MolecularWeight: 440.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H23NO6S/c1-14-8-18(22-15(2)10-21(26)30-19(22)9-14)29-11-20(25)24-17(23(27)28)13-31-12-16-6-4-3-5-7-16/h3-10,17H,11-13H2,1-2H3,(H,24,25)(H,27,28)/p-1/t17-/m0/s1