(2S)-2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: (2S)-2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: (2S)-2-[3-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-3-methylsulfanyl-propanoic acid CAS Name: (2S)-2-[[3-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-(methylthio)propanoic acid IUPAC Name: (2S)-2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-methylsulfanylpropanoic acid Traditional Name: (2S)-2-[3-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)propanoylamino]-3-(methylthio)propionic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-10-12-5-7-15(25-3)11(2)17(12)26-19(24)13(10)6-8-16(21)20-14(9-27-4)18(22)23/h5,7,14H,6,8-9H2,1-4H3,(H,20,21)(H,22,23)/t14-/m1/s1