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

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-3-pyridin-3-yl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-5-methyl-3-(3-pyridyl)-1-[2-(2-thienyl)ethyl]pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-3-(3-pyridinyl)-1-(2-thiophen-2-ylethyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-5-methyl-3-pyridin-3-yl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-3-(3-pyridyl)-1-[2-(2-thienyl)ethyl]pyrrol-2-yl]propionic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CS2)CCC(=O)OC)C3=CN=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CS2)CCC(=O)OC)C3=CN=CC=C3)C(=O)N

InChI

InChI=1S/C21H23N3O3S/c1-14-19(21(22)26)20(15-5-3-10-23-13-15)17(7-8-18(25)27-2)24(14)11-9-16-6-4-12-28-16/h3-6,10,12-13H,7-9,11H2,1-2H3,(H2,22,26)