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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(phenylmethyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(benzylamino)thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(phenylmethyl)amino]-4-thiazolyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(benzylamino)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(benzylamino)thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)NCC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3O2S/c1-4-24-18(23)16-12(2)17(21-13(16)3)15-11-25-19(22-15)20-10-14-8-6-5-7-9-14/h5-9,11,21H,4,10H2,1-3H3,(H,20,22)