[4-[[(E)-4-cyanobut-3-enethioyl]amino]-3-oxidanylidene-1,2-oxazolidin-2-yl] 2-(1-ethoxycarbonyloxyethyl)-5-oxidanylidene-oxolane-2-carboxylate

Systemtic Name: [4-[[(E)-4-cyanobut-3-enethioyl]amino]-3-oxidanylidene-1,2-oxazolidin-2-yl] 2-(1-ethoxycarbonyloxyethyl)-5-oxidanylidene-oxolane-2-carboxylate Openeye Name: [4-[[(E)-4-cyanobut-3-enethioyl]amino]-3-oxo-isoxazolidin-2-yl] 2-(1-ethoxycarbonyloxyethyl)-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: 2-(1-ethoxycarbonyloxyethyl)-5-oxo-2-oxolanecarboxylic acid [4-[[(E)-4-cyano-1-sulfanylidenebut-3-enyl]amino]-3-oxo-2-isoxazolidinyl] ester IUPAC Name: [4-[[(E)-4-cyanobut-3-enethioyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 2-(1-ethoxycarbonyloxyethyl)-5-oxooxolane-2-carboxylate Traditional Name: 2-(1-carbethoxyoxyethyl)-5-keto-tetrahydrofuran-2-carboxylic acid [4-[[(E)-4-cyanobut-3-enethioyl]amino]-3-keto-isoxazolidin-2-yl] ester Formula: C18H21N3O9S MolecularWeight: 455.43904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)C1(CCC(=O)O1)C(=O)ON2C(=O)C(CO2)NC(=S)CC=CC#N

Isomeric SMILES

CCOC(=O)OC(C)C1(CCC(=O)O1)C(=O)ON2C(=O)C(CO2)NC(=S)C/C=C/C#N

InChI

InChI=1S/C18H21N3O9S/c1-3-26-17(25)28-11(2)18(8-7-14(22)29-18)16(24)30-21-15(23)12(10-27-21)20-13(31)6-4-5-9-19/h4-5,11-12H,3,6-8,10H2,1-2H3,(H,20,31)/b5-4+