2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[(7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxyacetyl]amino]propionic acid Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27NO6S/c1-3-7-18-12-23(28)32-21-11-16(2)10-20(24(18)21)31-13-22(27)26-19(25(29)30)15-33-14-17-8-5-4-6-9-17/h4-6,8-12,19H,3,7,13-15H2,1-2H3,(H,26,27)(H,29,30)