(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CCSC)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CCSC)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C28H33NO5S/c1-17-7-12-22-20(15-24(30)34-25(22)18(17)2)16-33-27(32)23(13-14-35-6)29-26(31)19-8-10-21(11-9-19)28(3,4)5/h7-12,15,23H,13-14,16H2,1-6H3,(H,29,31)