[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diphenylpyrimidin-2-yl)thio]acetic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O3S/c31-25(28-17-20-10-4-1-5-11-20)18-33-26(32)19-34-27-29-23(21-12-6-2-7-13-21)16-24(30-27)22-14-8-3-9-15-22/h1-16H,17-19H2,(H,28,31)