methyl 4-[3-[(3-acetyloxy-2-methyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-2,2-dimethyl-thiolane-3-carboxylate

Systemtic Name: methyl 4-[3-[(3-acetyloxy-2-methyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-2,2-dimethyl-thiolane-3-carboxylate Openeye Name: methyl 4-[3-[(3-acetoxy-2-methyl-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]-2,2-dimethyl-tetrahydrothiophene-3-carboxylate CAS Name: 4-[3-[[(3-acetyloxy-2-methylphenyl)-oxomethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-2,2-dimethyl-3-thiolanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[(3-acetyloxy-2-methylbenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-2,2-dimethylthiolane-3-carboxylate Traditional Name: 4-[3-[(3-acetoxy-2-methyl-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]-2,2-dimethyl-tetrahydrothiophene-3-carboxylic acid methyl ester Formula: C28H33NO7S MolecularWeight: 527.62912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(C(=O)C3CSC(C3C(=O)OC)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1OC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(C(=O)C3CSC(C3C(=O)OC)(C)C)O

InChI

InChI=1S/C28H33NO7S/c1-16-19(12-9-13-22(16)36-17(2)30)26(33)29-21(14-18-10-7-6-8-11-18)25(32)24(31)20-15-37-28(3,4)23(20)27(34)35-5/h6-13,20-21,23,25,32H,14-15H2,1-5H3,(H,29,33)