3-[(5-methyl-3-oxidanylidene-isoindol-1-yl)-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(5-methyl-3-oxidanylidene-isoindol-1-yl)-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(5-methyl-3-oxo-isoindol-1-yl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(5-methyl-3-oxo-1-isoindolyl)-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(5-methyl-3-oxoisoindol-1-yl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(3-keto-5-methyl-isoindol-1-yl)amino]-5-phenyl-2-thenoic acid Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC2=O)N(C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC2=O)N(C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O)C(C)C

InChI

InChI=1S/C23H20N2O3S/c1-13(2)25(21-16-10-9-14(3)11-17(16)22(26)24-21)18-12-19(29-20(18)23(27)28)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,28)