ethyl 2-[3-[(3-azanyl-4-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[(3-azanyl-4-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate Openeye Name: ethyl 2-[3-(3-amino-4-fluoro-anilino)-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-(3-amino-4-fluoroanilino)-3-oxopropyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-amino-4-fluoroanilino)-3-oxopropyl]sulfanylacetate Traditional Name: 2-[[3-(3-amino-4-fluoro-anilino)-3-keto-propyl]thio]acetic acid ethyl ester Formula: C13H17FN2O3S MolecularWeight: 300.349083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCC(=O)NC1=CC(=C(C=C1)F)N

Isomeric SMILES

CCOC(=O)CSCCC(=O)NC1=CC(=C(C=C1)F)N

InChI

InChI=1S/C13H17FN2O3S/c1-2-19-13(18)8-20-6-5-12(17)16-9-3-4-10(14)11(15)7-9/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)