(2S)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-4-ethylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-4-ethylsulfanyl-butanoic acid Openeye Name: (2S)-4-ethylsulfanyl-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]butanoic acid CAS Name: (2S)-4-(ethylthio)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: (2S)-4-ethylsulfanyl-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid Traditional Name: (2S)-4-(ethylthio)-2-[[2-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)acetyl]amino]butyric acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)CC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

Isomeric SMILES

CCSCC[C@@H](C(=O)O)NC(=O)CC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

InChI

InChI=1S/C19H23NO6S/c1-4-27-8-7-14(18(23)24)20-16(22)9-13-10(2)12-5-6-15(21)11(3)17(12)26-19(13)25/h5-6,14,21H,4,7-9H2,1-3H3,(H,20,22)(H,23,24)/t14-/m0/s1