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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (7-methyl-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-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-methyl-chromen-4-yl)methyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CCSC)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CCSC)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H31NO5S/c1-17-6-11-21-19(15-24(29)33-23(21)14-17)16-32-26(31)22(12-13-34-5)28-25(30)18-7-9-20(10-8-18)27(2,3)4/h6-11,14-15,22H,12-13,16H2,1-5H3,(H,28,30)