(2S)-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(7-methoxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-keto-7-methoxy-chromen-4-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C17H18NO6S- MolecularWeight: 364.39292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C17H19NO6S/c1-23-11-3-4-12-10(8-16(20)24-14(12)9-11)7-15(19)18-13(17(21)22)5-6-25-2/h3-4,8-9,13H,5-7H2,1-2H3,(H,18,19)(H,21,22)/p-1/t13-/m0/s1