[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-di(propan-2-yl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2,4-diisopropylbenzoate CAS Name: 2,4-di(propan-2-yl)benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate Traditional Name: 2,4-diisopropylbenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-12(2)14-5-6-16(17(9-14)13(3)4)20(24)25-11-18(23)22-19-15(10-21)7-8-26-19/h5-9,12-13H,11H2,1-4H3,(H,22,23)