4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-3-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[(3S)-3-(5-esyl-1,3-benzoxazol-2-yl)pyrrolidino]-4-keto-butyric acid Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(C3)C(=O)CCC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)[C@H]3CCN(C3)C(=O)CCC(=O)O

InChI

InChI=1S/C17H20N2O6S/c1-2-26(23,24)12-3-4-14-13(9-12)18-17(25-14)11-7-8-19(10-11)15(20)5-6-16(21)22/h3-4,9,11H,2,5-8,10H2,1H3,(H,21,22)/t11-/m0/s1