5-[3-(3-chlorophenyl)propylamino]-3-propyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(3-chlorophenyl)propylamino]-3-propyl-thiophene-2-carboxylic acid Openeye Name: 5-[3-(3-chlorophenyl)propylamino]-3-propyl-thiophene-2-carboxylic acid CAS Name: 5-[3-(3-chlorophenyl)propylamino]-3-propyl-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(3-chlorophenyl)propylamino]-3-propylthiophene-2-carboxylic acid Traditional Name: 5-[3-(3-chlorophenyl)propylamino]-3-propyl-2-thenoic acid Formula: C17H20ClNO2S MolecularWeight: 337.8642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)NCCCC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CCCC1=C(SC(=C1)NCCCC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C17H20ClNO2S/c1-2-5-13-11-15(22-16(13)17(20)21)19-9-4-7-12-6-3-8-14(18)10-12/h3,6,8,10-11,19H,2,4-5,7,9H2,1H3,(H,20,21)