(2S)-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(6-keto-4-methyl-benzo[c]chromen-3-yl)oxyacetyl]amino]-4-(methylthio)butyrate Formula: C21H20NO6S- MolecularWeight: 414.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C21H21NO6S/c1-12-17(27-11-18(23)22-16(20(24)25)9-10-29-2)8-7-14-13-5-3-4-6-15(13)21(26)28-19(12)14/h3-8,16H,9-11H2,1-2H3,(H,22,23)(H,24,25)/p-1/t16-/m0/s1