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

Systemtic Name: 3-[(3-oxidanylideneisoindol-1-yl)-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(3-oxoisoindol-1-yl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-oxo-1-isoindolyl)-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-oxoisoindol-1-yl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(3-ketoisoindol-1-yl)amino]-5-phenyl-2-thenoic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C3=NC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C3=NC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H18N2O3S/c1-13(2)24(20-15-10-6-7-11-16(15)21(25)23-20)17-12-18(28-19(17)22(26)27)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,26,27)