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

Systemtic Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methoxy-phenyl]carbonylimino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Openeye Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methoxy-benzoyl]iminothiazol-3-yl]methyl pyrrolidine-2-carboxylate CAS Name: 2-pyrrolidinecarboxylic acid [2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]-3-methoxyphenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[4-(3,3-dimethylbutanoylamino)-3-methoxybenzoyl]imino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Traditional Name: pyrrolidine-2-carboxylic acid [2-[4-(3,3-dimethylbutanoylamino)-3-methoxy-benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCCN3)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=C(C=C1)C(=O)N=C2N(C=CS2)COC(=O)C3CCCN3)OC

InChI

InChI=1S/C23H30N4O5S/c1-23(2,3)13-19(28)25-16-8-7-15(12-18(16)31-4)20(29)26-22-27(10-11-33-22)14-32-21(30)17-6-5-9-24-17/h7-8,10-12,17,24H,5-6,9,13-14H2,1-4H3,(H,25,28)