(2S)-4-methylsulfanyl-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyrate Formula: C19H22NO6S- MolecularWeight: 392.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CCSC)C(=O)[O-])C

InChI

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