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

Systemtic Name: 3-[(4-chloranylcyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-chlorocyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-chlorocyclohexyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-chlorocyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-chlorocyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C21H24ClNO3S MolecularWeight: 405.93816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3CCC(CC3)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3CCC(CC3)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-13(2)23(20(24)15-8-10-16(22)11-9-15)17-12-18(27-19(17)21(25)26)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,25,26)