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

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=C(C=CS2)C#N)OC

InChI

InChI=1S/C19H20N2O5S/c1-4-25-11-15-9-13(5-6-16(15)24-3)19(23)26-12(2)17(22)21-18-14(10-20)7-8-27-18/h5-9,12H,4,11H2,1-3H3,(H,21,22)/t12-/m1/s1