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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (7-hydroxy-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-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C23H23NO6S/c1-14-4-3-5-15(10-14)22(27)24-19(8-9-31-2)23(28)29-13-16-11-21(26)30-20-12-17(25)6-7-18(16)20/h3-7,10-12,19,25H,8-9,13H2,1-2H3,(H,24,27)