propan-2-yl (3S)-3-[2-(4-fluorophenyl)sulfanylethanoylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: propan-2-yl (3S)-3-[2-(4-fluorophenyl)sulfanylethanoylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl (3S)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[[2-[(4-fluorophenyl)thio]acetyl]amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO4S/c1-14(2)27-21(25)12-19(15-4-8-17(26-3)9-5-15)23-20(24)13-28-18-10-6-16(22)7-11-18/h4-11,14,19H,12-13H2,1-3H3,(H,23,24)/t19-/m0/s1