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

Systemtic Name: (2S)-2-[2-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: (2S)-2-[[2-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: (2S)-2-[[2-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: (2S)-2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: (2S)-2-[[2-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-9-11-5-6-14(24-3)10(2)16(11)25-18(23)12(9)7-15(20)19-13(8-26-4)17(21)22/h5-6,13H,7-8H2,1-4H3,(H,19,20)(H,21,22)/t13-/m1/s1