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

Systemtic Name: methyl (2S)-2-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[(3-acetamido-2-oxo-chromen-6-yl)sulfonylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[(3-acetamido-2-oxo-1-benzopyran-6-yl)sulfonylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-acetamido-2-oxochromen-6-yl)sulfonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(3-acetamido-2-keto-chromen-6-yl)sulfonylamino]-4-methyl-valeric acid methyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)NC(=O)C

InChI

InChI=1S/C18H22N2O7S/c1-10(2)7-15(17(22)26-4)20-28(24,25)13-5-6-16-12(8-13)9-14(18(23)27-16)19-11(3)21/h5-6,8-10,15,20H,7H2,1-4H3,(H,19,21)/t15-/m0/s1