[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C20H20N2O4S/c1-2-3-14-4-6-15(7-5-14)17(23)8-9-19(25)26-13-18(24)22-20-16(12-21)10-11-27-20/h4-7,10-11H,2-3,8-9,13H2,1H3,(H,22,24)