2-[2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetyl]amino]acetic acid CAS Name: 2-[[2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(3E)-6-cyano-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetyl]amino]acetic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)C#N)CC(=O)NCC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)C#N)CC(=O)NCC(=O)O

InChI

InChI=1S/C23H20N2O4S/c1-14-19(9-15-3-6-17(7-4-15)30(2)29)18-8-5-16(12-24)10-21(18)20(14)11-22(26)25-13-23(27)28/h3-10H,11,13H2,1-2H3,(H,25,26)(H,27,28)/b19-9+