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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-14-11-16(27-13-21)7-8-17(14)22-19(24)12-26-20(25)10-9-18(23)15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,22,24)