ethyl 2,5-dimethyl-4-[2-(phenethylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(phenethylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(phenethylamino)thiazol-4-yl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-(phenethylamino)-4-thiazolyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(phenethylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(phenethylamino)thiazol-4-yl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CSC(=N2)NCCC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CSC(=N2)NCCC3=CC=CC=C3)C)C

InChI

InChI=1S/C20H23N3O2S/c1-4-25-19(24)18-14(3)22-13(2)17(18)16-12-26-20(23-16)21-11-10-15-8-6-5-7-9-15/h5-9,12,22H,4,10-11H2,1-3H3,(H,21,23)