[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-bromo-8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(4-bromo-8-chloro-1-naphthalenyl)thio]acetic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(4-bromo-8-chloro-1-naphthyl)thio]acetic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C22H19BrClNO3S MolecularWeight: 492.81316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=C3C(=C(C=C2)Br)C=CC=C3Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=C3C(=C(C=C2)Br)C=CC=C3Cl

InChI

InChI=1S/C22H19BrClNO3S/c1-14(15-6-3-2-4-7-15)25-20(26)12-28-21(27)13-29-19-11-10-17(23)16-8-5-9-18(24)22(16)19/h2-11,14H,12-13H2,1H3,(H,25,26)