[2-[4-(3,3-dimethylbutanoylamino)-3-methyl-phenyl]carbonylimino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate

Systemtic Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methyl-phenyl]carbonylimino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Openeye Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methyl-benzoyl]iminothiazol-3-yl]methyl pyrrolidine-2-carboxylate CAS Name: 2-pyrrolidinecarboxylic acid [2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]-3-methylphenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methylbenzoyl]imino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Traditional Name: pyrrolidine-2-carboxylic acid [2-[4-(3,3-dimethylbutanoylamino)-3-methyl-benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCCN3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCCN3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C23H30N4O4S/c1-15-12-16(7-8-17(15)25-19(28)13-23(2,3)4)20(29)26-22-27(10-11-32-22)14-31-21(30)18-6-5-9-24-18/h7-8,10-12,18,24H,5-6,9,13-14H2,1-4H3,(H,25,28)