methyl 4-[4-aminocarbonyl-5-methyl-2-pentyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-2-pentyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-5-methyl-2-pentyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-5-methyl-2-pentyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-5-methyl-2-pentyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]benzoate Traditional Name: 4-[2-amyl-4-carbamoyl-5-methyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]benzoic acid methyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCC2=CC=CS2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC2=CC=CS2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H30N2O3S/c1-4-5-6-9-21-23(18-10-12-19(13-11-18)25(29)30-3)22(24(26)28)17(2)27(21)15-14-20-8-7-16-31-20/h7-8,10-13,16H,4-6,9,14-15H2,1-3H3,(H2,26,28)