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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C18H17N3O3S/c1-11-3-5-14(6-4-11)20-18-21-15(10-25-18)9-24-17(23)16-7-13(8-19-16)12(2)22/h3-8,10,19H,9H2,1-2H3,(H,20,21)