2-[2-[(6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[(6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-[(4-keto-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoylamino]-4-(methylthio)butyric acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C21H25NO6S/c1-11-17(27-12(2)19(23)22-16(20(24)25)9-10-29-3)8-7-14-13-5-4-6-15(13)21(26)28-18(11)14/h7-8,12,16H,4-6,9-10H2,1-3H3,(H,22,23)(H,24,25)