3-methylbutyl 3-[2-(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl)ethanoylamino]benzoate

Systemtic Name: 3-methylbutyl 3-[2-(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl)ethanoylamino]benzoate Openeye Name: isopentyl 3-[[2-[4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]ethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-keto-2-piperidino-2-thiazolin-5-yl)acetyl]amino]benzoic acid isoamyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-15(2)9-12-29-21(28)16-7-6-8-17(13-16)23-19(26)14-18-20(27)24-22(30-18)25-10-4-3-5-11-25/h6-8,13,15,18H,3-5,9-12,14H2,1-2H3,(H,23,26)