[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CS1)C#N)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=C(C=CS1)C#N)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H20N4O4S/c1-12(2)16(23-19(26)21-14-6-4-3-5-7-14)18(25)27-11-15(24)22-17-13(10-20)8-9-28-17/h3-9,12,16H,11H2,1-2H3,(H,22,24)(H2,21,23,26)/t16-/m1/s1