[2-[5-chloranyl-4-(cyclopentylcarbonylamino)-2-methoxy-phenyl]carbonylimino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate

Systemtic Name: [2-[5-chloranyl-4-(cyclopentylcarbonylamino)-2-methoxy-phenyl]carbonylimino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate Openeye Name: [2-[5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-benzoyl]iminothiazol-3-yl]methyl piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid [2-[[5-chloro-4-[[cyclopentyl(oxo)methyl]amino]-2-methoxyphenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[5-chloro-4-(cyclopentanecarbonylamino)-2-methoxybenzoyl]imino-1,3-thiazol-3-yl]methyl piperidine-4-carboxylate Traditional Name: isonipecotic acid [2-[5-chloro-4-(cyclopentanecarbonylamino)-2-methoxy-benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C24H29ClN4O5S MolecularWeight: 521.02886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N=C2N(C=CS2)COC(=O)C3CCNCC3)Cl)NC(=O)C4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N=C2N(C=CS2)COC(=O)C3CCNCC3)Cl)NC(=O)C4CCCC4

InChI

InChI=1S/C24H29ClN4O5S/c1-33-20-13-19(27-21(30)15-4-2-3-5-15)18(25)12-17(20)22(31)28-24-29(10-11-35-24)14-34-23(32)16-6-8-26-9-7-16/h10-13,15-16,26H,2-9,14H2,1H3,(H,27,30)