(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid (6-isopropyl-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=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

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