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

Systemtic Name: 5-[3-[2-(3-chlorophenyl)sulfanylethylamino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-(3-chlorophenyl)sulfanylethylamino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-[(3-chlorophenyl)thio]ethylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-(3-chlorophenyl)sulfanylethylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-[(3-chlorophenyl)thio]ethylamino]propyl]-2-thenoic acid Formula: C16H18ClNO2S2 MolecularWeight: 355.90262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)SCCNCCCC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)SCCNCCCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C16H18ClNO2S2/c17-12-3-1-4-14(11-12)21-10-9-18-8-2-5-13-6-7-15(22-13)16(19)20/h1,3-4,6-7,11,18H,2,5,8-10H2,(H,19,20)