methyl 2-[3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanoylamino]hexanoate

Systemtic Name: methyl 2-[3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanoylamino]hexanoate Openeye Name: methyl 2-[3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanoylamino]hexanoate CAS Name: 2-[[3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanoylamino]hexanoate Traditional Name: 2-[3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]propanoylamino]hexanoic acid methyl ester Formula: C28H34N2O4S MolecularWeight: 494.64556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CCC1=CC=C(N1C2=CC=C(C=C2)SC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CCC1=CC=C(N1C2=CC=C(C=C2)SC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H34N2O4S/c1-5-6-7-25(28(32)34-3)29-27(31)19-13-22-12-18-26(20-8-14-23(33-2)15-9-20)30(22)21-10-16-24(35-4)17-11-21/h8-12,14-18,25H,5-7,13,19H2,1-4H3,(H,29,31)