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

Systemtic Name: ethyl 4-[2-[3-[(2-fluorophenyl)methylamino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(2-fluorophenyl)methylamino]-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(2-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=CC=C2F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC2=CC=CC=C2F

InChI

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