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

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CCSC)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](CCSC)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C26H28N2O7S/c1-4-33-26(32)27-19-8-9-20-18(13-23(29)35-22(20)14-19)15-34-25(31)21(10-11-36-3)28-24(30)17-7-5-6-16(2)12-17/h5-9,12-14,21H,4,10-11,15H2,1-3H3,(H,27,32)(H,28,30)/t21-/m0/s1