(2S)-2-[[(2S)-2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoyl]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(=C2)OC(C)C(=O)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C19H23NO6S/c1-10-11(2)19(24)26-16-9-13(5-6-14(10)16)25-12(3)17(21)20-15(18(22)23)7-8-27-4/h5-6,9,12,15H,7-8H2,1-4H3,(H,20,21)(H,22,23)/p-1/t12-,15-/m0/s1