2-[[6-methyl-7-(4-oxidanyl-3-propan-2-yl-phenyl)sulfanyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[6-methyl-7-(4-oxidanyl-3-propan-2-yl-phenyl)sulfanyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[7-(4-hydroxy-3-isopropyl-phenyl)sulfanyl-6-methyl-indan-4-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[7-[(4-hydroxy-3-propan-2-ylphenyl)thio]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid IUPAC Name: 2-[[7-(4-hydroxy-3-propan-2-ylphenyl)sulfanyl-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[7-[(4-hydroxy-3-isopropyl-phenyl)thio]-6-methyl-indan-4-yl]amino]-2-keto-acetic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CCCC2=C1SC3=CC(=C(C=C3)O)C(C)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=C2CCCC2=C1SC3=CC(=C(C=C3)O)C(C)C)NC(=O)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-11(2)16-10-13(7-8-18(16)23)27-19-12(3)9-17(22-20(24)21(25)26)14-5-4-6-15(14)19/h7-11,23H,4-6H2,1-3H3,(H,22,24)(H,25,26)