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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(furan-2-ylcarbonylamino)propanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-(furan-2-carbonylamino)propanoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]propanoic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 3-(furan-2-carbonylamino)propanoate Traditional Name: 3-(2-furoylamino)propionic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CCNC(=O)C2=CC=CO2

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)CCNC(=O)C2=CC=CO2

InChI

InChI=1S/C16H15N3O5S/c1-10-9-25-16(19-10)11(7-17)12(20)8-24-14(21)4-5-18-15(22)13-3-2-6-23-13/h2-3,6,9,11H,4-5,8H2,1H3,(H,18,22)/t11-/m0/s1