ethyl 4-[2-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(4-fluorophenyl)methylamino]-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(4-fluorobenzyl)amino]-3-keto-propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H23FN2O4S/c1-2-28-21(27)16-5-9-18(10-6-16)24-20(26)14-29-12-11-19(25)23-13-15-3-7-17(22)8-4-15/h3-10H,2,11-14H2,1H3,(H,23,25)(H,24,26)