[2-[2-methoxy-4-(2-methylpropanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate

Systemtic Name: [2-[2-methoxy-4-(2-methylpropanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate Openeye Name: [2-[2-methoxy-4-(2-methylpropanoylamino)benzoyl]iminothiazol-3-yl]methyl piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid [2-[[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[2-methoxy-4-(2-methylpropanoylamino)benzoyl]imino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate Traditional Name: isonipecotic acid [2-[4-(isobutyrylamino)-2-methoxy-benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCNCC3)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCNCC3)OC

InChI

InChI=1S/C22H28N4O5S/c1-14(2)19(27)24-16-4-5-17(18(12-16)30-3)20(28)25-22-26(10-11-32-22)13-31-21(29)15-6-8-23-9-7-15/h4-5,10-12,14-15,23H,6-9,13H2,1-3H3,(H,24,27)