(2S)-1-(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-acetamido-2-oxo-chromen-6-yl)sulfonylpyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(3-acetamido-2-oxo-1-benzopyran-6-yl)sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-acetamido-2-oxochromen-6-yl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(3-acetamido-2-keto-chromen-6-yl)sulfonylproline Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)O)OC1=O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)N3CCC[C@H]3C(=O)O)OC1=O

InChI

InChI=1S/C16H16N2O7S/c1-9(19)17-12-8-10-7-11(4-5-14(10)25-16(12)22)26(23,24)18-6-2-3-13(18)15(20)21/h4-5,7-8,13H,2-3,6H2,1H3,(H,17,19)(H,20,21)/t13-/m0/s1