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

Systemtic Name: methyl 4-[2-(2-phenylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(2-phenylbutanoylamino)thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(1-oxo-2-phenylbutyl)amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2-phenylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(2-phenylbutanoylamino)thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O3S/c1-3-14(12-7-5-4-6-8-12)17(23)22-19-21-16(11-26-19)13-9-15(20-10-13)18(24)25-2/h4-11,14,20H,3H2,1-2H3,(H,21,22,23)