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

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylbutoxy)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic 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-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C20H22N2O4S/c1-13(2)8-10-25-17-6-4-15(5-7-17)20(24)26-14(3)18(23)22-19-16(12-21)9-11-27-19/h4-7,9,11,13-14H,8,10H2,1-3H3,(H,22,23)