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

Systemtic Name: butyl 4-[2-(2-phenylazanyl-1,3-thiazol-4-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-anilinothiazol-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(2-anilino-4-thiazolyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-anilinothiazol-4-yl)acetyl]amino]benzoic acid butyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-2-3-13-28-21(27)16-9-11-18(12-10-16)23-20(26)14-19-15-29-22(25-19)24-17-7-5-4-6-8-17/h4-12,15H,2-3,13-14H2,1H3,(H,23,26)(H,24,25)