(2S)-2-[2-(7-methoxy-8-methyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(7-methoxy-8-methyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(7-methoxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(7-methoxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(7-methoxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-keto-7-methoxy-8-methyl-chromen-4-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C18H20NO6S- MolecularWeight: 378.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(CCSC)C(=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)N[C@@H](CCSC)C(=O)[O-])OC

InChI

InChI=1S/C18H21NO6S/c1-10-14(24-2)5-4-12-11(9-16(21)25-17(10)12)8-15(20)19-13(18(22)23)6-7-26-3/h4-5,9,13H,6-8H2,1-3H3,(H,19,20)(H,22,23)/p-1/t13-/m0/s1