2-[2-(8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-(8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(8-methyl-2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[(8-methyl-2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(2-keto-8-methyl-4-phenyl-chromen-7-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C22H21NO6S/c1-13-18(28-11-19(24)23-17(12-30-2)22(26)27)9-8-15-16(10-20(25)29-21(13)15)14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,23,24)(H,26,27)