methyl 3-[4-aminocarbonyl-5-methyl-1-(3-morpholin-4-ylpropyl)-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-1-(3-morpholin-4-ylpropyl)-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-5-methyl-1-(3-morpholinopropyl)-3-thiazol-2-yl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-1-[3-(4-morpholinyl)propyl]-3-(2-thiazolyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-5-methyl-1-(3-morpholin-4-ylpropyl)-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-1-(3-morpholinopropyl)-3-thiazol-2-yl-pyrrol-2-yl]propionic acid methyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCCN2CCOCC2)CCC(=O)OC)C3=NC=CS3)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCCN2CCOCC2)CCC(=O)OC)C3=NC=CS3)C(=O)N

InChI

InChI=1S/C20H28N4O4S/c1-14-17(19(21)26)18(20-22-6-13-29-20)15(4-5-16(25)27-2)24(14)8-3-7-23-9-11-28-12-10-23/h6,13H,3-5,7-12H2,1-2H3,(H2,21,26)