[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C19H16N4O4S/c1-12(18(26)22-19-13(10-20)7-9-28-19)27-17(25)6-8-23-15-5-3-2-4-14(15)16(24)11-21-23/h2-5,7,9,11-12H,6,8H2,1H3,(H,22,26)/t12-/m1/s1