4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(diphenethylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(diphenethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(diphenethylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(3,4-dichlorophenyl)thio]methyl]-5-(diphenethylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(diphenethylamino)-5-oxopentanoic acid Traditional Name: 4-[[(3,4-dichlorophenyl)thio]methyl]-5-(diphenethylamino)-5-keto-valeric acid Formula: C28H29Cl2NO3S MolecularWeight: 530.50576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C(=O)C(CCC(=O)O)CSC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C(=O)C(CCC(=O)O)CSC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C28H29Cl2NO3S/c29-25-13-12-24(19-26(25)30)35-20-23(11-14-27(32)33)28(34)31(17-15-21-7-3-1-4-8-21)18-16-22-9-5-2-6-10-22/h1-10,12-13,19,23H,11,14-18,20H2,(H,32,33)