ethyl 4-[4-aminocarbonyl-5-methyl-1-(3-phenylpropyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[4-aminocarbonyl-5-methyl-1-(3-phenylpropyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-carbamoyl-5-methyl-1-(3-phenylpropyl)pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-carbamoyl-5-methyl-1-(3-phenylpropyl)-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-carbamoyl-5-methyl-1-(3-phenylpropyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-carbamoyl-5-methyl-1-(3-phenylpropyl)pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CCCC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CCCC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C21H23N3O3S/c1-3-27-21(26)20-23-17(13-28-20)18-12-16(19(22)25)14(2)24(18)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H2,22,25)