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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4S/c1-6-34-28(32)27(19(2)3)29-26(31)18-12-22-11-17-25(20-7-13-23(33-4)14-8-20)30(22)21-9-15-24(35-5)16-10-21/h7-11,13-17,19,27H,6,12,18H2,1-5H3,(H,29,31)