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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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