3-[(4-cyanophenyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-cyanophenyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-cyanobenzoyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-cyanobenzoyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-cyanobenzoyl)-isopropyl-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)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC=C(C=C3)C#N

InChI

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