(2R)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]propanoate CAS Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]propionate Formula: C22H19ClNO6S- MolecularWeight: 460.90736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H20ClNO6S/c1-12-14-7-16(23)18(25)9-19(14)30-22(29)15(12)8-20(26)24-17(21(27)28)11-31-10-13-5-3-2-4-6-13/h2-7,9,17,25H,8,10-11H2,1H3,(H,24,26)(H,27,28)/p-1/t17-/m0/s1