methyl (2S)-2-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(3-acetamido-2-oxo-chromen-6-yl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(3-acetamido-2-oxo-1-benzopyran-6-yl)sulfonylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-acetamido-2-oxochromen-6-yl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-acetamido-2-keto-chromen-6-yl)sulfonylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H20N2O7S2 MolecularWeight: 428.4799

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)NC(CCSC)C(=O)OC)OC1=O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)N[C@@H](CCSC)C(=O)OC)OC1=O

InChI

InChI=1S/C17H20N2O7S2/c1-10(20)18-14-9-11-8-12(4-5-15(11)26-17(14)22)28(23,24)19-13(6-7-27-3)16(21)25-2/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,18,20)/t13-/m0/s1