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

Systemtic Name: 2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S/c1-9-10(2)17(22)24-14-6-11(4-5-12(9)14)23-7-15(19)18-13(8-25-3)16(20)21/h4-6,13H,7-8H2,1-3H3,(H,18,19)(H,20,21)