(2R)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: (2R)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: (2R)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: (2R)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: (2R)-2-[[2-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)N[C@@H](CSC)C(=O)O

InChI

InChI=1S/C17H19NO6S/c1-8-10-4-5-13(19)9(2)15(10)24-17(23)11(8)6-14(20)18-12(7-25-3)16(21)22/h4-5,12,19H,6-7H2,1-3H3,(H,18,20)(H,21,22)/t12-/m0/s1