[3-cyano-4-oxidanyl-2-oxidanylidene-4-[(phenylmethyl)amino]but-3-enyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [3-cyano-4-oxidanyl-2-oxidanylidene-4-[(phenylmethyl)amino]but-3-enyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [4-(benzylamino)-3-cyano-4-hydroxy-2-oxo-but-3-enyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [3-cyano-4-hydroxy-2-oxo-4-[(phenylmethyl)amino]but-3-enyl] ester IUPAC Name: [4-(benzylamino)-3-cyano-4-hydroxy-2-oxobut-3-enyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [4-(benzylamino)-3-cyano-4-hydroxy-2-keto-but-3-enyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)COC(=O)CCC(=O)C2=CC=CS2)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)COC(=O)CCC(=O)C2=CC=CS2)O

InChI

InChI=1S/C20H18N2O5S/c21-11-15(20(26)22-12-14-5-2-1-3-6-14)17(24)13-27-19(25)9-8-16(23)18-7-4-10-28-18/h1-7,10,22,26H,8-9,12-13H2