(2R)-2-methyl-4-oxidanylidene-2-phenyl-4-[(4-thiocyanatophenyl)amino]butanoate

Systemtic Name: (2R)-2-methyl-4-oxidanylidene-2-phenyl-4-[(4-thiocyanatophenyl)amino]butanoate Openeye Name: (2R)-2-methyl-4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoate CAS Name: (2R)-2-methyl-4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoate IUPAC Name: (2R)-2-methyl-4-oxo-2-phenyl-4-(4-thiocyanatoanilino)butanoate Traditional Name: (2R)-4-keto-2-methyl-2-phenyl-4-(4-thiocyanatoanilino)butyrate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)SC#N)(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@@](CC(=O)NC1=CC=C(C=C1)SC#N)(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H16N2O3S/c1-18(17(22)23,13-5-3-2-4-6-13)11-16(21)20-14-7-9-15(10-8-14)24-12-19/h2-10H,11H2,1H3,(H,20,21)(H,22,23)/p-1/t18-/m1/s1