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

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-3-quinolin-2-yl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-5-methyl-3-(2-quinolyl)-1-[2-(2-thienyl)ethyl]pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-3-(2-quinolinyl)-1-(2-thiophen-2-ylethyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-5-methyl-3-quinolin-2-yl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-3-(2-quinolyl)-1-[2-(2-thienyl)ethyl]pyrrol-2-yl]propionic acid methyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CS2)CCC(=O)OC)C3=NC4=CC=CC=C4C=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CS2)CCC(=O)OC)C3=NC4=CC=CC=C4C=C3)C(=O)N

InChI

InChI=1S/C25H25N3O3S/c1-16-23(25(26)30)24(20-10-9-17-6-3-4-8-19(17)27-20)21(11-12-22(29)31-2)28(16)14-13-18-7-5-15-32-18/h3-10,15H,11-14H2,1-2H3,(H2,26,30)