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

Systemtic Name: butyl 4-[2-[2-(thiophen-2-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(thiophene-2-carbonylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo(thiophen-2-yl)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(2-thenoylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O4S2/c1-2-3-10-28-20(27)14-6-8-15(9-7-14)22-18(25)12-16-13-30-21(23-16)24-19(26)17-5-4-11-29-17/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,25)(H,23,24,26)