[2-[3-chloranyl-4-(2-cyclopentylethanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-3-methyl-pentanoate

Systemtic Name: [2-[3-chloranyl-4-(2-cyclopentylethanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl 2-azanyl-3-methyl-pentanoate Openeye Name: [2-[3-chloro-4-[(2-cyclopentylacetyl)amino]benzoyl]iminothiazol-3-yl]methyl 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [2-[[3-chloro-4-[(2-cyclopentyl-1-oxoethyl)amino]phenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[3-chloro-4-[(2-cyclopentylacetyl)amino]benzoyl]imino-1,3-thiazol-3-yl]methyl 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [2-[3-chloro-4-[(2-cyclopentylacetyl)amino]benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C24H31ClN4O4S MolecularWeight: 507.04534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCN1C=CSC1=NC(=O)C2=CC(=C(C=C2)NC(=O)CC3CCCC3)Cl)N

Isomeric SMILES

CCC(C)C(C(=O)OCN1C=CSC1=NC(=O)C2=CC(=C(C=C2)NC(=O)CC3CCCC3)Cl)N

InChI

InChI=1S/C24H31ClN4O4S/c1-3-15(2)21(26)23(32)33-14-29-10-11-34-24(29)28-22(31)17-8-9-19(18(25)13-17)27-20(30)12-16-6-4-5-7-16/h8-11,13,15-16,21H,3-7,12,14,26H2,1-2H3,(H,27,30)