[2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)N[C@H](C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H18FNO4S/c1-13-4-9-17(24)16(11-13)21(26)27-12-19(25)23-20(18-3-2-10-28-18)14-5-7-15(22)8-6-14/h2-11,20,24H,12H2,1H3,(H,23,25)/t20-/m1/s1