butyl 4-[2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-pyrrol-1-ylthiazol-4-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-(1-pyrrolyl)-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-pyrrol-1-ylthiazol-4-yl)acetyl]amino]benzoic acid butyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)N3C=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)N3C=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-2-3-12-26-19(25)15-6-8-16(9-7-15)21-18(24)13-17-14-27-20(22-17)23-10-4-5-11-23/h4-11,14H,2-3,12-13H2,1H3,(H,21,24)