2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C23H23NO6S/c1-14-15(2)23(28)30-20-10-17(8-9-18(14)20)29-11-21(25)24-19(22(26)27)13-31-12-16-6-4-3-5-7-16/h3-10,19H,11-13H2,1-2H3,(H,24,25)(H,26,27)