2-[2-[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[2-[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[2-[5-methyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl]oxyacetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[5-methyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[2-[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[4-keto-5-methyl-3-(4-methylthiazol-2-yl)chromen-7-yl]oxyacetyl]amino]-4-(methylthio)butyrate Formula: C21H21N2O6S2- MolecularWeight: 461.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=NC(=CS3)C)OCC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=NC(=CS3)C)OCC(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C21H22N2O6S2/c1-11-6-13(28-9-17(24)23-15(21(26)27)4-5-30-3)7-16-18(11)19(25)14(8-29-16)20-22-12(2)10-31-20/h6-8,10,15H,4-5,9H2,1-3H3,(H,23,24)(H,26,27)/p-1