(2R)-2-[2-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[2-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]propanoate CAS Name: (2R)-2-[[2-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)acetyl]amino]propionate Formula: C24H24NO6S- MolecularWeight: 454.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H25NO6S/c1-14-17-9-10-20(30-3)15(2)22(17)31-24(29)18(14)11-21(26)25-19(23(27)28)13-32-12-16-7-5-4-6-8-16/h4-10,19H,11-13H2,1-3H3,(H,25,26)(H,27,28)/p-1/t19-/m0/s1