[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C(C2=CC=C(C=C2)Cl)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)[C@H](C2=CC=C(C=C2)Cl)C(C)C

InChI

InChI=1S/C21H21ClN2O3S/c1-13(2)20(15-4-6-16(22)7-5-15)21(26)27-11-19(25)24-18-9-8-17(28-12-23)10-14(18)3/h4-10,13,20H,11H2,1-3H3,(H,24,25)/t20-/m0/s1