methyl (2S)-1-(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(3-acetamido-2-oxo-chromen-6-yl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3-acetamido-2-oxo-1-benzopyran-6-yl)sulfonyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(3-acetamido-2-oxochromen-6-yl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3-acetamido-2-keto-chromen-6-yl)sulfonylpyrrolidine-2-carboxylic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-10(20)18-13-9-11-8-12(5-6-15(11)26-16(13)21)27(23,24)19-7-3-4-14(19)17(22)25-2/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,18,20)/t14-/m0/s1