3-[(2-chlorophenyl)amino]-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-3-sulfanyl-prop-2-enamide

Systemtic Name: 3-[(2-chlorophenyl)amino]-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-3-sulfanyl-prop-2-enamide Openeye Name: 3-(2-chloroanilino)-2-cyano-3-sulfanyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]prop-2-enamide CAS Name: 3-(2-chloroanilino)-2-cyano-3-mercapto-N-[[(2S)-2-oxolanyl]methyl]-2-propenamide IUPAC Name: 3-(2-chloroanilino)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-3-sulfanylprop-2-enamide Traditional Name: 3-(2-chloroanilino)-2-cyano-3-mercapto-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acrylamide Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=C(NC2=CC=CC=C2Cl)S)C#N

Isomeric SMILES

C1C[C@H](OC1)CNC(=O)C(=C(NC2=CC=CC=C2Cl)S)C#N

InChI

InChI=1S/C15H16ClN3O2S/c16-12-5-1-2-6-13(12)19-15(22)11(8-17)14(20)18-9-10-4-3-7-21-10/h1-2,5-6,10,19,22H,3-4,7,9H2,(H,18,20)/t10-/m0/s1