[2-[(3,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(N-acetyl-3,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=CN3)C(=O)C)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=CN3)C(=O)C)C(=O)C)C

InChI

InChI=1S/C21H21N3O4S/c1-12-5-6-18(7-13(12)2)24(15(4)26)21-23-17(11-29-21)10-28-20(27)19-8-16(9-22-19)14(3)25/h5-9,11,22H,10H2,1-4H3