methyl 4-[2,5-dimethyl-3-[2-(3-phenylpropanoylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(3-phenylpropanoylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(3-phenylpropanoylamino)thiazol-4-yl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-[(1-oxo-3-phenylpropyl)amino]-4-thiazolyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(3-phenylpropanoylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(hydrocinnamoylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S/c1-17-15-22(18(2)29(17)21-12-10-20(11-13-21)25(31)32-3)23-16-33-26(27-23)28-24(30)14-9-19-7-5-4-6-8-19/h4-8,10-13,15-16H,9,14H2,1-3H3,(H,27,28,30)