[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NOC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NOC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H19N3O7S/c1-25-13-5-4-12(10-14(13)28(23,24)20-7-2-3-8-20)17(22)26-11-16(21)18-15-6-9-27-19-15/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,18,19,21)