[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(furan-2-ylcarbonylamino)benzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(furan-2-carbonylamino)benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]benzoic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(furan-2-carbonylamino)benzoate Traditional Name: 2-(2-furoylamino)benzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H15N3O5S/c1-12-11-29-19(22-12)14(9-21)16(24)10-28-20(26)13-5-2-3-6-15(13)23-18(25)17-7-4-8-27-17/h2-8,11,14H,10H2,1H3,(H,23,25)/t14-/m1/s1