ethyl 4-methyl-2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[3-(2-keto-1,3-benzoxazol-3-yl)propanoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C22H27N3O5S/c1-4-6-9-13-25(21-23-15(3)19(31-21)20(27)29-5-2)18(26)12-14-24-16-10-7-8-11-17(16)30-22(24)28/h7-8,10-11H,4-6,9,12-14H2,1-3H3