[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H17ClFNO3S MolecularWeight: 417.880983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)OCC(=O)NCC3=CC=C(C=C3)F)C(=CC=C2)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)OCC(=O)NCC3=CC=C(C=C3)F)C(=CC=C2)Cl

InChI

InChI=1S/C21H17ClFNO3S/c22-17-5-1-3-15-4-2-6-18(21(15)17)28-13-20(26)27-12-19(25)24-11-14-7-9-16(23)10-8-14/h1-10H,11-13H2,(H,24,25)