methyl 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-[(4-fluorophenyl)thio]propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H18FNO3S2 MolecularWeight: 367.458123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FNO3S2/c1-22-17(21)11-14(15-3-2-9-24-15)19-16(20)8-10-23-13-6-4-12(18)5-7-13/h2-7,9,14H,8,10-11H2,1H3,(H,19,20)