2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(6-keto-4-methyl-benzo[c]chromen-3-yl)oxyacetyl]amino]propionic acid Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H23NO6S/c1-16-22(12-11-19-18-9-5-6-10-20(18)26(31)33-24(16)19)32-13-23(28)27-21(25(29)30)15-34-14-17-7-3-2-4-8-17/h2-12,21H,13-15H2,1H3,(H,27,28)(H,29,30)