[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)OC

InChI

InChI=1S/C20H22N2O5S/c1-4-5-9-26-16-7-6-14(11-17(16)25-3)20(24)27-13(2)18(23)22-19-15(12-21)8-10-28-19/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,22,23)