2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C20H25NO6S/c1-11-13-5-7-16(26-3)12(2)18(13)27-20(25)14(11)6-8-17(22)21-15(19(23)24)9-10-28-4/h5,7,15H,6,8-10H2,1-4H3,(H,21,22)(H,23,24)